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

C26H27N3O4 — CID 42393535

IUPAC(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccnc3OC)c2)c1
InChIInChI=1S/C26H27N3O4/c1-32-21-11-6-9-19(17-21)18-8-5-10-20(16-18)28-24(30)23-13-3-4-15-29(23)26(31)22-12-7-14-27-25(22)33-2/h5-12,14,16-17,23H,3-4,13,15H2,1-2H3,(H,28,30)/t23-/m1/s1
InChIKeyLCRMFLMLMGNFPZ-HSZRJFAPSA-N
MW445.52 g/mol
LogP4.40
Rot. Bonds6

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

(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide (PubChem CID 42393535) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
PubChem CID42393535
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccnc3OC)c2)c1
InChIInChI=1S/C26H27N3O4/c1-32-21-11-6-9-19(17-21)18-8-5-10-20(16-18)28-24(30)23-13-3-4-15-29(23)26(31)22-12-7-14-27-25(22)33-2/h5-12,14,16-17,23H,3-4,13,15H2,1-2H3,(H,28,30)/t23-/m1/s1
InChIKeyLCRMFLMLMGNFPZ-HSZRJFAPSA-N
XLogP4.40
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
(3R)-1-(2-methoxypyridine-3-carbonyl)-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
CID 25374168
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
CID 72877644
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide (CID 42393535) is (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide is COc1cccc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccnc3OC)c2)c1.
What is the InChIKey of (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is LCRMFLMLMGNFPZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-32-21-11-6-9-19(17-21)18-8-5-10-20(16-18)28-24(30)23-13-3-4-15-29(23)26(31)22-12-7-14-27-25(22)33-2/h5-12,14,16-17,23H,3-4,13,15H2,1-2H3,(H,28,30)/t23-/m1/s1.
What are the key properties of (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide?
(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 42393535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).