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

C27H27N3O5 — CID 26252939

IUPAC(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H27N3O5/c1-34-21-11-5-17(6-12-21)25-23(27(33)29-19-7-3-18(4-8-19)26(28)32)15-16-24(31)30(25)20-9-13-22(35-2)14-10-20/h3-14,23,25H,15-16H2,1-2H3,(H2,28,32)(H,29,33)/t23-,25?/m1/s1
InChIKeyRJXMFLZFHXWAET-XQZUBTRRSA-N
MW473.53 g/mol
LogP3.93
Rot. Bonds7

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

(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26252939) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID26252939
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H27N3O5/c1-34-21-11-5-17(6-12-21)25-23(27(33)29-19-7-3-18(4-8-19)26(28)32)15-16-24(31)30(25)20-9-13-22(35-2)14-10-20/h3-14,23,25H,15-16H2,1-2H3,(H2,28,32)(H,29,33)/t23-,25?/m1/s1
InChIKeyRJXMFLZFHXWAET-XQZUBTRRSA-N
XLogP3.93
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42999456
1,2-bis(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 16551077
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-cyclopentyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 43007439
[2-(4-methylanilino)-2-oxoethyl] (2S,3R)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 40785983
[2-(4-methylanilino)-2-oxoethyl] 1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 4969539
(2R,3S)-N-(4-acetamidophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 40863526
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 92654016
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 22423048
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46506178

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 26252939) is (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2[C@H](C(=O)Nc3ccc(C(N)=O)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RJXMFLZFHXWAET-XQZUBTRRSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-34-21-11-5-17(6-12-21)25-23(27(33)29-19-7-3-18(4-8-19)26(28)32)15-16-24(31)30(25)20-9-13-22(35-2)14-10-20/h3-14,23,25H,15-16H2,1-2H3,(H2,28,32)(H,29,33)/t23-,25?/m1/s1.
What are the key properties of (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26252939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).