1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C23H28N2O3 — CID 53117125

IUPAC1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCCC(C)(C(=O)NCc3ccc(C)cc3)C2)c1
InChIInChI=1S/C23H28N2O3/c1-17-8-10-18(11-9-17)15-24-22(27)23(2)12-5-13-25(16-23)21(26)19-6-4-7-20(14-19)28-3/h4,6-11,14H,5,12-13,15-16H2,1-3H3,(H,24,27)
InChIKeyUNXDMWGZFMQPNE-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.56
Rot. Bonds5

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

1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53117125) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID53117125
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCCC(C)(C(=O)NCc3ccc(C)cc3)C2)c1
InChIInChI=1S/C23H28N2O3/c1-17-8-10-18(11-9-17)15-24-22(27)23(2)12-5-13-25(16-23)21(26)19-6-4-7-20(14-19)28-3/h4,6-11,14H,5,12-13,15-16H2,1-3H3,(H,24,27)
InChIKeyUNXDMWGZFMQPNE-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087326
(3S)-N-[(3-fluorophenyl)methyl]-3-methyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 95087648
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-3-methylpiperidine-3-carboxamide
CID 53117113
(3S)-1-(4-bromobenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087327
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
1-(5-bromofuran-2-carbonyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117062
(3S)-1-(2-chlorobenzoyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087455
(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
CID 95087546
(3R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 95087343
(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 53117125) is 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is COc1cccc(C(=O)N2CCCC(C)(C(=O)NCc3ccc(C)cc3)C2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UNXDMWGZFMQPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-8-10-18(11-9-17)15-24-22(27)23(2)12-5-13-25(16-23)21(26)19-6-4-7-20(14-19)28-3/h4,6-11,14H,5,12-13,15-16H2,1-3H3,(H,24,27).
What are the key properties of 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53117125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).