1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C25H31FN2O3 — CID 24584036

IUPAC1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCc2ccc(F)c(C)c2)C1c1ccccc1OC
InChIInChI=1S/C25H31FN2O3/c1-4-5-14-28-23(29)13-11-20(24(28)19-8-6-7-9-22(19)31-3)25(30)27-16-18-10-12-21(26)17(2)15-18/h6-10,12,15,20,24H,4-5,11,13-14,16H2,1-3H3,(H,27,30)
InChIKeyWWDWTYYVHOJFMV-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.54
Rot. Bonds8

About 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24584036) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID24584036
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCc2ccc(F)c(C)c2)C1c1ccccc1OC
InChIInChI=1S/C25H31FN2O3/c1-4-5-14-28-23(29)13-11-20(24(28)19-8-6-7-9-22(19)31-3)25(30)27-16-18-10-12-21(26)17(2)15-18/h6-10,12,15,20,24H,4-5,11,13-14,16H2,1-3H3,(H,27,30)
InChIKeyWWDWTYYVHOJFMV-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24517524
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 55636367
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 32695368
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 86796081
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 110086940

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 24584036) is 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NCc2ccc(F)c(C)c2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WWDWTYYVHOJFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-4-5-14-28-23(29)13-11-20(24(28)19-8-6-7-9-22(19)31-3)25(30)27-16-18-10-12-21(26)17(2)15-18/h6-10,12,15,20,24H,4-5,11,13-14,16H2,1-3H3,(H,27,30).
What are the key properties of 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24584036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).