(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C28H29N3O5 — CID 40863526

IUPAC(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C28H29N3O5/c1-18(32)29-19-8-10-20(11-9-19)30-28(34)24-16-17-26(33)31(21-12-14-22(35-2)15-13-21)27(24)23-6-4-5-7-25(23)36-3/h4-15,24,27H,16-17H2,1-3H3,(H,29,32)(H,30,34)/t24-,27-/m0/s1
InChIKeyJZPYFFRBRBSKCH-IGKIAQTJSA-N
MW487.56 g/mol
LogP4.79
Rot. Bonds7

About (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 40863526) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID40863526
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C28H29N3O5/c1-18(32)29-19-8-10-20(11-9-19)30-28(34)24-16-17-26(33)31(21-12-14-22(35-2)15-13-21)27(24)23-6-4-5-7-25(23)36-3/h4-15,24,27H,16-17H2,1-3H3,(H,29,32)(H,30,34)/t24-,27-/m0/s1
InChIKeyJZPYFFRBRBSKCH-IGKIAQTJSA-N
XLogP4.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 40863511
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(2R,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 25472876
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 16960012
N-(1-cyclopropylethyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55385087
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 16548280
(2S,3R)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26011864
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 17482905
(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 31455747

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 40863526) is (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(NC(C)=O)cc3)[C@@H]2c2ccccc2OC)cc1.
What is the InChIKey of (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JZPYFFRBRBSKCH-IGKIAQTJSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-18(32)29-19-8-10-20(11-9-19)30-28(34)24-16-17-26(33)31(21-12-14-22(35-2)15-13-21)27(24)23-6-4-5-7-25(23)36-3/h4-15,24,27H,16-17H2,1-3H3,(H,29,32)(H,30,34)/t24-,27-/m0/s1.
What are the key properties of (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 40863526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).