(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C27H26ClFN2O5 — CID 92654016

IUPAC(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H26ClFN2O5/c1-34-19-8-6-18(7-9-19)31-25(32)13-10-20(27(33)30-17-5-11-22(29)21(28)15-17)26(31)16-4-12-23(35-2)24(14-16)36-3/h4-9,11-12,14-15,20,26H,10,13H2,1-3H3,(H,30,33)/t20-,26?/m1/s1
InChIKeyRAPYJFMEQRNOEW-TUHVGIAZSA-N
MW512.97 g/mol
LogP5.63
Rot. Bonds7

About (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 92654016) has the molecular formula C27H26ClFN2O5 and a molecular weight of 512.97 g/mol. Its IUPAC name is (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID92654016
Molecular FormulaC27H26ClFN2O5
Molecular Weight512.97 g/mol
Exact Mass512.15
IUPAC Name(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H26ClFN2O5/c1-34-19-8-6-18(7-9-19)31-25(32)13-10-20(27(33)30-17-5-11-22(29)21(28)15-17)26(31)16-4-12-23(35-2)24(14-16)36-3/h4-9,11-12,14-15,20,26H,10,13H2,1-3H3,(H,30,33)/t20-,26?/m1/s1
InChIKeyRAPYJFMEQRNOEW-TUHVGIAZSA-N
XLogP5.63
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.97
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46506178
(2S,3S)-2-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 94850280
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-6-oxopiperidine-3-carboxamide
CID 42917796
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26252939
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 16960012
(5S,6R)-6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)piperidin-2-one
CID 25476275
N-(3-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 22423048
(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
1,2-bis(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 16551077

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 92654016) is (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is RAPYJFMEQRNOEW-TUHVGIAZSA-N. The full InChI is InChI=1S/C27H26ClFN2O5/c1-34-19-8-6-18(7-9-19)31-25(32)13-10-20(27(33)30-17-5-11-22(29)21(28)15-17)26(31)16-4-12-23(35-2)24(14-16)36-3/h4-9,11-12,14-15,20,26H,10,13H2,1-3H3,(H,30,33)/t20-,26?/m1/s1.
What are the key properties of (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 512.97 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 92654016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).