(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

C26H27N3O3 — CID 25374168

IUPAC(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ncccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1
InChIInChI=1S/C26H27N3O3/c1-18-7-3-8-19(15-18)20-9-4-11-22(16-20)28-24(30)21-10-6-14-29(17-21)26(31)23-12-5-13-27-25(23)32-2/h3-5,7-9,11-13,15-16,21H,6,10,14,17H2,1-2H3,(H,28,30)/t21-/m1/s1
InChIKeyNZIWTVAFDAYDBE-OAQYLSRUSA-N
MW429.52 g/mol
LogP4.56
Rot. Bonds5

About (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide

(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (PubChem CID 25374168) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
PubChem CID25374168
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
SMILESCOc1ncccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1
InChIInChI=1S/C26H27N3O3/c1-18-7-3-8-19(15-18)20-9-4-11-22(16-20)28-24(30)21-10-6-14-29(17-21)26(31)23-12-5-13-27-25(23)32-2/h3-5,7-9,11-13,15-16,21H,6,10,14,17H2,1-2H3,(H,28,30)/t21-/m1/s1
InChIKeyNZIWTVAFDAYDBE-OAQYLSRUSA-N
XLogP4.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
CID 42393535
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
CID 126604020
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide (CID 25374168) is (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is COc1ncccc1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1.
What is the InChIKey of (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is NZIWTVAFDAYDBE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-7-3-8-19(15-18)20-9-4-11-22(16-20)28-24(30)21-10-6-14-29(17-21)26(31)23-12-5-13-27-25(23)32-2/h3-5,7-9,11-13,15-16,21H,6,10,14,17H2,1-2H3,(H,28,30)/t21-/m1/s1.
What are the key properties of (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide?
(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 25374168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).