1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one

C25H30ClN3O2 — CID 24819382

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CCC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)c(C)c1
InChIInChI=1S/C25H30ClN3O2/c1-18-3-9-23(19(2)15-18)27-11-13-28(14-12-27)25(31)21-6-10-24(30)29(17-21)16-20-4-7-22(26)8-5-20/h3-5,7-9,15,21H,6,10-14,16-17H2,1-2H3
InChIKeyPVSFRQQWBIHKMA-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.04
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one

1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24819382) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID24819382
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CCC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)c(C)c1
InChIInChI=1S/C25H30ClN3O2/c1-18-3-9-23(19(2)15-18)27-11-13-28(14-12-27)25(31)21-6-10-24(30)29(17-21)16-20-4-7-22(26)8-5-20/h3-5,7-9,15,21H,6,10-14,16-17H2,1-2H3
InChIKeyPVSFRQQWBIHKMA-UHFFFAOYSA-N
XLogP4.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382
1-[(4-chlorophenyl)methyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 24790872
1-[(4-chlorophenyl)methyl]-5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 45217031
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
[(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 124793639
1-[(4-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45234331
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 55879779
1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
CID 166228383
1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2739200
1-[(3-chloro-4-fluorophenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 103038424

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one (CID 24819382) is 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one is Cc1ccc(N2CCN(C(=O)C3CCC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)c(C)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is PVSFRQQWBIHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-18-3-9-23(19(2)15-18)27-11-13-28(14-12-27)25(31)21-6-10-24(30)29(17-21)16-20-4-7-22(26)8-5-20/h3-5,7-9,15,21H,6,10-14,16-17H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 439.99 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24819382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).