(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C22H25ClN2O2 — CID 94082776

IUPAC(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1
InChIInChI=1S/C22H25ClN2O2/c1-14-9-15(2)11-18(10-14)22(27)25-8-4-5-17(13-25)21(26)24-20-7-6-19(23)12-16(20)3/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyLFSMBKZDSSUECB-QGZVFWFLSA-N
MW384.91 g/mol
LogP4.76
Rot. Bonds3

About (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 94082776) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID94082776
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1
InChIInChI=1S/C22H25ClN2O2/c1-14-9-15(2)11-18(10-14)22(27)25-8-4-5-17(13-25)21(26)24-20-7-6-19(23)12-16(20)3/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,24,26)/t17-/m1/s1
InChIKeyLFSMBKZDSSUECB-QGZVFWFLSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3S)-N-(2-bromophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010502
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 94082776) is (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c1.
What is the InChIKey of (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is LFSMBKZDSSUECB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-14-9-15(2)11-18(10-14)22(27)25-8-4-5-17(13-25)21(26)24-20-7-6-19(23)12-16(20)3/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,24,26)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).