N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

C21H24N2O3 — CID 55623806

IUPACN-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-5-7-16(8-6-15)21(25)23-13-3-4-17(14-23)20(24)22-18-9-11-19(26-2)12-10-18/h5-12,17H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyZDPRGSTWWKTDJW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.49
Rot. Bonds4

About N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 55623806) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID55623806
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-5-7-16(8-6-15)21(25)23-13-3-4-17(14-23)20(24)22-18-9-11-19(26-2)12-10-18/h5-12,17H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyZDPRGSTWWKTDJW-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-[(1R,2R)-2-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51071660
N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 166364664
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 46404099
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46441561

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 55623806) is N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ZDPRGSTWWKTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-5-7-16(8-6-15)21(25)23-13-3-4-17(14-23)20(24)22-18-9-11-19(26-2)12-10-18/h5-12,17H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55623806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).