(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C26H27N3O3 — CID 92601128

IUPAC(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1
InChIInChI=1S/C26H27N3O3/c1-32-23-12-5-4-11-22(23)24(30)29-15-7-13-26(18-29,25(27)31)16-19-8-2-3-10-21(19)20-9-6-14-28-17-20/h2-6,8-12,14,17H,7,13,15-16,18H2,1H3,(H2,27,31)/t26-/m0/s1
InChIKeyYAAFYXYUSPCQAF-SANMLTNESA-N
MW429.52 g/mol
LogP3.71
Rot. Bonds6

About (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92601128) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92601128
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1
InChIInChI=1S/C26H27N3O3/c1-32-23-12-5-4-11-22(23)24(30)29-15-7-13-26(18-29,25(27)31)16-19-8-2-3-10-21(19)20-9-6-14-28-17-20/h2-6,8-12,14,17H,7,13,15-16,18H2,1H3,(H2,27,31)/t26-/m0/s1
InChIKeyYAAFYXYUSPCQAF-SANMLTNESA-N
XLogP3.71
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
1-(2-methoxybenzoyl)-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230966
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
1-(2-methoxybenzoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 56918920
(3S)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592104
(3R)-N-ethyl-1-(pyridine-3-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92592103
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435
1-[(3,4-dimethoxyphenyl)methyl]-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232730
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92601128) is (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is COc1ccccc1C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1.
What is the InChIKey of (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YAAFYXYUSPCQAF-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N3O3/c1-32-23-12-5-4-11-22(23)24(30)29-15-7-13-26(18-29,25(27)31)16-19-8-2-3-10-21(19)20-9-6-14-28-17-20/h2-6,8-12,14,17H,7,13,15-16,18H2,1H3,(H2,27,31)/t26-/m0/s1.
What are the key properties of (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92601128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).