| Drug Name |
MAZAPERTINE
|
| Synonyms |
Mazapertine; UNII-N0X1XW704P; CHEMBL10085; N0X1XW704P; 134208-17-6; RWJ-377796; Mazapertine [INN]; AC1L1TZN; AC1Q5K4U; SCHEMBL636631; DTXSID40158594; ZKZFPRUSWCYSGT-UHFFFAOYSA-N; BDBM50029257; L001470; Piperidino[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]phenyl] ketone; 1-[3-[[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]methyl]benzoyl]piperidine; {3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone; piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
421.6 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.4 |
| Rotatable Bond Count (rotbonds) |
6 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C26H35N3O2
- IUPAC Name
piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone - Canonical SMILES
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CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)C(=O)N4CCCCC4
- InChI
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InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
- InChIKey
-
ZKZFPRUSWCYSGT-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 60820
- CAS Number
-
- TTD ID
- D01WJZ
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