[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone

C24H24ClN3O — CID 174339665

IUPAC[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@H]1CN(C(=O)c2cccnc2)CCN1C(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClN3O/c1-18-17-27(24(29)21-10-6-12-26-16-21)13-14-28(18)23(19-7-3-2-4-8-19)20-9-5-11-22(25)15-20/h2-12,15-16,18,23H,13-14,17H2,1H3/t18-,23?/m0/s1
InChIKeyQXUSTMIYNMHIQK-XNUZUHMRSA-N
MW405.93 g/mol
LogP4.67
Rot. Bonds4

About [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone

[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 174339665) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID174339665
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@H]1CN(C(=O)c2cccnc2)CCN1C(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClN3O/c1-18-17-27(24(29)21-10-6-12-26-16-21)13-14-28(18)23(19-7-3-2-4-8-19)20-9-5-11-22(25)15-20/h2-12,15-16,18,23H,13-14,17H2,1H3/t18-,23?/m0/s1
InChIKeyQXUSTMIYNMHIQK-XNUZUHMRSA-N
XLogP4.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]ethyl]acetamide
CID 174333147
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
ethyl 2-[(2R)-1-[(3-chlorophenyl)-phenylmethyl]-4-(isoquinoline-4-carbonyl)piperazin-2-yl]acetate
CID 178079765
N-[[1-benzhydryl-4-(pyridine-3-carbonyl)piperazin-2-yl]methyl]-N-methyl-3-(tetrazol-1-yl)propanamide
CID 171797633
[4-[(3-chlorophenyl)-phenylmethyl]-3-ethylpiperazin-1-yl]-isoquinolin-4-ylmethanone;N-methylformamide
CID 178079857
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 91938736
(3-methyl-4-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868752
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
[(2R,5S)-4-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]-2,5-dimethylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 174340514
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 174339665) is [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone is C[C@H]1CN(C(=O)c2cccnc2)CCN1C(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is QXUSTMIYNMHIQK-XNUZUHMRSA-N. The full InChI is InChI=1S/C24H24ClN3O/c1-18-17-27(24(29)21-10-6-12-26-16-21)13-14-28(18)23(19-7-3-2-4-8-19)20-9-5-11-22(25)15-20/h2-12,15-16,18,23H,13-14,17H2,1H3/t18-,23?/m0/s1.
What are the key properties of [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone?
[(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 405.93 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-[(R)-(3-chlorophenyl)-phenylmethyl]-3-methylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 174339665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).