N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C28H29FN2O4 — CID 42989394

IUPACN-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCc3ccc(F)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29FN2O4/c1-34-23-11-5-20(6-12-23)27-25(28(33)30-18-17-19-3-7-21(29)8-4-19)15-16-26(32)31(27)22-9-13-24(35-2)14-10-22/h3-14,25,27H,15-18H2,1-2H3,(H,30,33)
InChIKeyNGYXGXFSEUEJGN-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.69
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42989394) has the molecular formula C28H29FN2O4 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID42989394
Molecular FormulaC28H29FN2O4
Molecular Weight476.55 g/mol
Exact Mass476.21
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCCc3ccc(F)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H29FN2O4/c1-34-23-11-5-20(6-12-23)27-25(28(33)30-18-17-19-3-7-21(29)8-4-19)15-16-26(32)31(27)22-9-13-24(35-2)14-10-22/h3-14,25,27H,15-18H2,1-2H3,(H,30,33)
InChIKeyNGYXGXFSEUEJGN-UHFFFAOYSA-N
XLogP4.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 15994143
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
1-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 171320532
(2R,3R)-N-[3-[benzyl(ethyl)amino]propyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 124766985
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
(2S,3S)-N-(2,5-difluorophenyl)-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 26360728
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
(2R,3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 41254769
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 53298050
(2S,3R)-1,2-bis(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 92653033
(2R,3S)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 98460106

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 42989394) is N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)NCCc3ccc(F)cc3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is NGYXGXFSEUEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O4/c1-34-23-11-5-20(6-12-23)27-25(28(33)30-18-17-19-3-7-21(29)8-4-19)15-16-26(32)31(27)22-9-13-24(35-2)14-10-22/h3-14,25,27H,15-18H2,1-2H3,(H,30,33).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 476.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42989394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).