(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide

C38H35N3O4 — CID 25115281

IUPAC(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@H](c3ccc(-c4ccccc4)cc3)[C@@H](NC(=O)c3ccc(Oc4ccccc4)cc3)C2)c1
InChIInChI=1S/C38H35N3O4/c1-44-34-14-8-11-31(25-34)39-38(43)41-24-23-35(29-17-15-28(16-18-29)27-9-4-2-5-10-27)36(26-41)40-37(42)30-19-21-33(22-20-30)45-32-12-6-3-7-13-32/h2-22,25,35-36H,23-24,26H2,1H3,(H,39,43)(H,40,42)/t35-,36+/m1/s1
InChIKeyBRTBSQRAHSAAKM-XDSPJLLDSA-N
MW597.72 g/mol
LogP7.97
Rot. Bonds8

About (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide

(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide (PubChem CID 25115281) has the molecular formula C38H35N3O4 and a molecular weight of 597.72 g/mol. Its IUPAC name is (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide
PubChem CID25115281
Molecular FormulaC38H35N3O4
Molecular Weight597.72 g/mol
Exact Mass597.26
IUPAC Name(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@H](c3ccc(-c4ccccc4)cc3)[C@@H](NC(=O)c3ccc(Oc4ccccc4)cc3)C2)c1
InChIInChI=1S/C38H35N3O4/c1-44-34-14-8-11-31(25-34)39-38(43)41-24-23-35(29-17-15-28(16-18-29)27-9-4-2-5-10-27)36(26-41)40-37(42)30-19-21-33(22-20-30)45-32-12-6-3-7-13-32/h2-22,25,35-36H,23-24,26H2,1H3,(H,39,43)(H,40,42)/t35-,36+/m1/s1
InChIKeyBRTBSQRAHSAAKM-XDSPJLLDSA-N
XLogP7.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
CID 25115052
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-(3-acetylphenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 43814135
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
[(3R,4R)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl] 4-phenylbenzoate
CID 45137115

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide (CID 25115281) is (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CC[C@H](c3ccc(-c4ccccc4)cc3)[C@@H](NC(=O)c3ccc(Oc4ccccc4)cc3)C2)c1.
What is the InChIKey of (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide?
The InChIKey is BRTBSQRAHSAAKM-XDSPJLLDSA-N. The full InChI is InChI=1S/C38H35N3O4/c1-44-34-14-8-11-31(25-34)39-38(43)41-24-23-35(29-17-15-28(16-18-29)27-9-4-2-5-10-27)36(26-41)40-37(42)30-19-21-33(22-20-30)45-32-12-6-3-7-13-32/h2-22,25,35-36H,23-24,26H2,1H3,(H,39,43)(H,40,42)/t35-,36+/m1/s1.
What are the key properties of (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide?
(3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide has a molecular weight of 597.72 g/mol, XLogP of 7.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(3-methoxyphenyl)-3-[(4-phenoxybenzoyl)amino]-4-(4-phenylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 25115281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).