(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C26H24F2N2O4 — CID 26360728

IUPAC(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2[C@@H](C(=O)Nc3cc(F)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24F2N2O4/c1-33-19-8-3-16(4-9-19)25-21(26(32)29-23-15-17(27)5-13-22(23)28)12-14-24(31)30(25)18-6-10-20(34-2)11-7-18/h3-11,13,15,21,25H,12,14H2,1-2H3,(H,29,32)/t21-,25?/m0/s1
InChIKeyIREIRHGBRSOLOQ-BWDMCYIDSA-N
MW466.48 g/mol
LogP5.11
Rot. Bonds6

About (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26360728) has the molecular formula C26H24F2N2O4 and a molecular weight of 466.48 g/mol. Its IUPAC name is (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID26360728
Molecular FormulaC26H24F2N2O4
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2[C@@H](C(=O)Nc3cc(F)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24F2N2O4/c1-33-19-8-3-16(4-9-19)25-21(26(32)29-23-15-17(27)5-13-22(23)28)12-14-24(31)30(25)18-6-10-20(34-2)11-7-18/h3-11,13,15,21,25H,12,14H2,1-2H3,(H,29,32)/t21-,25?/m0/s1
InChIKeyIREIRHGBRSOLOQ-BWDMCYIDSA-N
XLogP5.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
N-(2-fluoro-5-nitrophenyl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55363325
(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 92654016
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
(2S,3R)-N-(4-carbamoylphenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26252939
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
(2R,3S)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 98460106
1,2-bis(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 16551077
N-cyclohexyl-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 15993815
6-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)piperidin-2-one
CID 22422028

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 26360728) is (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2[C@@H](C(=O)Nc3cc(F)ccc3F)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is IREIRHGBRSOLOQ-BWDMCYIDSA-N. The full InChI is InChI=1S/C26H24F2N2O4/c1-33-19-8-3-16(4-9-19)25-21(26(32)29-23-15-17(27)5-13-22(23)28)12-14-24(31)30(25)18-6-10-20(34-2)11-7-18/h3-11,13,15,21,25H,12,14H2,1-2H3,(H,29,32)/t21-,25?/m0/s1.
What are the key properties of (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 466.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26360728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).