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

C28H29N3O4 — CID 40863511

IUPAC(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C28H29N3O4/c1-18-8-14-22(15-9-18)31-26(33)17-16-24(27(31)23-6-4-5-7-25(23)35-3)28(34)30-21-12-10-20(11-13-21)29-19(2)32/h4-15,24,27H,16-17H2,1-3H3,(H,29,32)(H,30,34)/t24-,27+/m1/s1
InChIKeyQWKKXPRKDHCYOZ-SQHAQQRYSA-N
MW471.56 g/mol
LogP5.09
Rot. Bonds6

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

(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 40863511) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID40863511
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CCC(=O)N1c1ccc(C)cc1
InChIInChI=1S/C28H29N3O4/c1-18-8-14-22(15-9-18)31-26(33)17-16-24(27(31)23-6-4-5-7-25(23)35-3)28(34)30-21-12-10-20(11-13-21)29-19(2)32/h4-15,24,27H,16-17H2,1-3H3,(H,29,32)(H,30,34)/t24-,27+/m1/s1
InChIKeyQWKKXPRKDHCYOZ-SQHAQQRYSA-N
XLogP5.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
(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
N-butyl-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 43006887
(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
2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 16548279
(2S,3R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26909564
2-(2-methoxyphenyl)-1-(4-methylphenyl)-N-(oxan-3-yl)-6-oxopiperidine-3-carboxamide
CID 56559087
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 55390676
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 40863511) is (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(NC(C)=O)cc2)CCC(=O)N1c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is QWKKXPRKDHCYOZ-SQHAQQRYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-18-8-14-22(15-9-18)31-26(33)17-16-24(27(31)23-6-4-5-7-25(23)35-3)28(34)30-21-12-10-20(11-13-21)29-19(2)32/h4-15,24,27H,16-17H2,1-3H3,(H,29,32)(H,30,34)/t24-,27+/m1/s1.
What are the key properties of (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 40863511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).