1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

C27H28N2O3 — CID 110232048

IUPAC1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(N)=O)C1
InChIInChI=1S/C27H28N2O3/c1-32-24-15-8-7-14-23(24)25(30)29-17-9-16-27(19-29,26(28)31)18-21-12-5-6-13-22(21)20-10-3-2-4-11-20/h2-8,10-15H,9,16-19H2,1H3,(H2,28,31)
InChIKeyGTLPYDHXMPUDEJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.31
Rot. Bonds6

About 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide

1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232048) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110232048
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(N)=O)C1
InChIInChI=1S/C27H28N2O3/c1-32-24-15-8-7-14-23(24)25(30)29-17-9-16-27(19-29,26(28)31)18-21-12-5-6-13-22(21)20-10-3-2-4-11-20/h2-8,10-15H,9,16-19H2,1H3,(H2,28,31)
InChIKeyGTLPYDHXMPUDEJ-UHFFFAOYSA-N
XLogP4.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230966
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92575766
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982891
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
ethyl 3-[(2,4-difluorophenyl)methyl]-1-(2-methoxybenzoyl)piperidine-3-carboxylate
CID 45216972
(3S)-1-(2-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601068
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide (CID 110232048) is 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is COc1ccccc1C(=O)N1CCCC(Cc2ccccc2-c2ccccc2)(C(N)=O)C1.
What is the InChIKey of 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GTLPYDHXMPUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-24-15-8-7-14-23(24)25(30)29-17-9-16-27(19-29,26(28)31)18-21-12-5-6-13-22(21)20-10-3-2-4-11-20/h2-8,10-15H,9,16-19H2,1H3,(H2,28,31).
What are the key properties of 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide?
1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).