N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C21H23ClN2O2 — CID 55604677

IUPACN-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-15-12-18(22)9-10-19(15)23-21(26)17-8-5-11-24(14-17)20(25)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,26)
InChIKeyALBGRWNUQBOQDD-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.07
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55604677) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55604677
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-15-12-18(22)9-10-19(15)23-21(26)17-8-5-11-24(14-17)20(25)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,26)
InChIKeyALBGRWNUQBOQDD-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide 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

(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804204
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607859
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55604677) is N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is ALBGRWNUQBOQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-12-18(22)9-10-19(15)23-21(26)17-8-5-11-24(14-17)20(25)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,23,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55604677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).