N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide

C21H24N2O3 — CID 11100264

IUPACN-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(C(=O)N(C(=O)N2CCCC(C)C2)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-7-6-14-22(15-16)21(25)23(18-8-4-3-5-9-18)20(24)17-10-12-19(26-2)13-11-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3
InChIKeyJDXMQVRTIMLTIW-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.19
Rot. Bonds3

About N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide

N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide (PubChem CID 11100264) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide
PubChem CID11100264
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide
SMILESCOc1ccc(C(=O)N(C(=O)N2CCCC(C)C2)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-16-7-6-14-22(15-16)21(25)23(18-8-4-3-5-9-18)20(24)17-10-12-19(26-2)13-11-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3
InChIKeyJDXMQVRTIMLTIW-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
3-methyl-N-phenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide
CID 11142038
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
(3R)-1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120360
[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
4-methoxy-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111143939
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788846
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide (CID 11100264) is N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide is COc1ccc(C(=O)N(C(=O)N2CCCC(C)C2)c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide?
The InChIKey is JDXMQVRTIMLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16-7-6-14-22(15-16)21(25)23(18-8-4-3-5-9-18)20(24)17-10-12-19(26-2)13-11-17/h3-5,8-13,16H,6-7,14-15H2,1-2H3.
What are the key properties of N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide?
N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybenzoyl)-3-methyl-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 11100264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).