[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

C23H30N4O — CID 92882193

IUPAC[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4ccncc4)CC3)C[C@@H]2C)c1
InChIInChI=1S/C23H30N4O/c1-18-4-3-5-22(16-18)27-15-14-26(17-19(27)2)23(28)20-8-12-25(13-9-20)21-6-10-24-11-7-21/h3-7,10-11,16,19-20H,8-9,12-15,17H2,1-2H3/t19-/m0/s1
InChIKeyVVNUNXSFOIXUMO-IBGZPJMESA-N
MW378.52 g/mol
LogP3.34
Rot. Bonds3

About [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone

[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (PubChem CID 92882193) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
PubChem CID92882193
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCN(c4ccncc4)CC3)C[C@@H]2C)c1
InChIInChI=1S/C23H30N4O/c1-18-4-3-5-22(16-18)27-15-14-26(17-19(27)2)23(28)20-8-12-25(13-9-20)21-6-10-24-11-7-21/h3-7,10-11,16,19-20H,8-9,12-15,17H2,1-2H3/t19-/m0/s1
InChIKeyVVNUNXSFOIXUMO-IBGZPJMESA-N
XLogP3.34
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone with MolForge

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Related Compounds

[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
1-methyl-3-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30442443
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 58866514
[1-(1H-benzimidazol-2-yl)piperidin-3-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 20882966
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
(3-aminopyrrolidin-1-yl)-(1-pyridin-4-ylpiperidin-4-yl)methanone;hydrochloride
CID 22721764
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
[1-[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50783216
N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 4521952

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone (CID 92882193) is [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is Cc1cccc(N2CCN(C(=O)C3CCN(c4ccncc4)CC3)C[C@@H]2C)c1.
What is the InChIKey of [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
The InChIKey is VVNUNXSFOIXUMO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-4-3-5-22(16-18)27-15-14-26(17-19(27)2)23(28)20-8-12-25(13-9-20)21-6-10-24-11-7-21/h3-7,10-11,16,19-20H,8-9,12-15,17H2,1-2H3/t19-/m0/s1.
What are the key properties of [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone?
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 92882193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).