N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C21H23ClN2O2 — CID 2920836

IUPACN-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-15-4-2-3-5-19(15)21(26)24-12-10-17(11-13-24)20(25)23-14-16-6-8-18(22)9-7-16/h2-9,17H,10-14H2,1H3,(H,23,25)
InChIKeyZONFYZMLLVNFAQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.82
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 2920836) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID2920836
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-15-4-2-3-5-19(15)21(26)24-12-10-17(11-13-24)20(25)23-14-16-6-8-18(22)9-7-16/h2-9,17H,10-14H2,1H3,(H,23,25)
InChIKeyZONFYZMLLVNFAQ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(4-chlorophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019078
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
N-[[4-(methoxymethyl)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46415724

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 2920836) is N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is ZONFYZMLLVNFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-4-2-3-5-19(15)21(26)24-12-10-17(11-13-24)20(25)23-14-16-6-8-18(22)9-7-16/h2-9,17H,10-14H2,1H3,(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 2920836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).