N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

C20H21ClN2O2 — CID 4612076

IUPACN-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-14-5-2-3-8-18(14)20(25)23-11-9-15(10-12-23)19(24)22-17-7-4-6-16(21)13-17/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyRVSOLDWLDBVGAQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.14
Rot. Bonds3

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

N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 4612076) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID4612076
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-14-5-2-3-8-18(14)20(25)23-11-9-15(10-12-23)19(24)22-17-7-4-6-16(21)13-17/h2-8,13,15H,9-12H2,1H3,(H,22,24)
InChIKeyRVSOLDWLDBVGAQ-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
1-(2-methylbenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 131917959
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
1-(2-chlorobenzoyl)-N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 17223520
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 4612076) is N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is RVSOLDWLDBVGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-14-5-2-3-8-18(14)20(25)23-11-9-15(10-12-23)19(24)22-17-7-4-6-16(21)13-17/h2-8,13,15H,9-12H2,1H3,(H,22,24).
What are the key properties of N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 4612076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).