N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide

C21H24N2O3 — CID 18587488

IUPACN-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(C)cc2)c1
InChIInChI=1S/C21H24N2O3/c1-16-9-11-18(12-10-16)23(21(25)22-13-4-3-5-14-22)20(24)17-7-6-8-19(15-17)26-2/h6-12,15H,3-5,13-14H2,1-2H3
InChIKeyKYNPAPRTQCCSAM-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.26
Rot. Bonds3

About N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide

N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 18587488) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID18587488
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(C)cc2)c1
InChIInChI=1S/C21H24N2O3/c1-16-9-11-18(12-10-16)23(21(25)22-13-4-3-5-14-22)20(24)17-7-6-8-19(15-17)26-2/h6-12,15H,3-5,13-14H2,1-2H3
InChIKeyKYNPAPRTQCCSAM-UHFFFAOYSA-N
XLogP4.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
3-(3-methoxyphenyl)-1-piperidin-1-ylprop-2-yn-1-one
CID 134965190
N'-ethyl-3-methoxy-N'-(4-methylphenyl)benzohydrazide
CID 9181877
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide (CID 18587488) is N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide is COc1cccc(C(=O)N(C(=O)N2CCCCC2)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is KYNPAPRTQCCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-9-11-18(12-10-16)23(21(25)22-13-4-3-5-14-22)20(24)17-7-6-8-19(15-17)26-2/h6-12,15H,3-5,13-14H2,1-2H3.
What are the key properties of N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybenzoyl)-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 18587488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).