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

C21H23ClN2O2 — CID 113007275

IUPACN-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-4-3-5-17(12-14)21(26)24-10-8-16(9-11-24)20(25)23-19-7-6-18(22)13-15(19)2/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,25)
InChIKeyUZUNSRQTSRBJQA-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.45
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 113007275) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID113007275
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-4-3-5-17(12-14)21(26)24-10-8-16(9-11-24)20(25)23-19-7-6-18(22)13-15(19)2/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,25)
InChIKeyUZUNSRQTSRBJQA-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 113007275) is N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is UZUNSRQTSRBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-4-3-5-17(12-14)21(26)24-10-8-16(9-11-24)20(25)23-19-7-6-18(22)13-15(19)2/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.45, 3 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-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).