1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide

C25H31FN2O3 — CID 24517524

IUPAC1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCCc2cccc(F)c2)C1c1ccccc1OC
InChIInChI=1S/C25H31FN2O3/c1-3-4-16-28-23(29)13-12-21(24(28)20-10-5-6-11-22(20)31-2)25(30)27-15-14-18-8-7-9-19(26)17-18/h5-11,17,21,24H,3-4,12-16H2,1-2H3,(H,27,30)
InChIKeyYLQBIHLPHXDNIS-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.27
Rot. Bonds9

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

1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24517524) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID24517524
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCCc2cccc(F)c2)C1c1ccccc1OC
InChIInChI=1S/C25H31FN2O3/c1-3-4-16-28-23(29)13-12-21(24(28)20-10-5-6-11-22(20)31-2)25(30)27-15-14-18-8-7-9-19(26)17-18/h5-11,17,21,24H,3-4,12-16H2,1-2H3,(H,27,30)
InChIKeyYLQBIHLPHXDNIS-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
1-butyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 78866680
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
1-butyl-N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24584036
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 86796081
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 46521632
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065115

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide (CID 24517524) is 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NCCc2cccc(F)c2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YLQBIHLPHXDNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-3-4-16-28-23(29)13-12-21(24(28)20-10-5-6-11-22(20)31-2)25(30)27-15-14-18-8-7-9-19(26)17-18/h5-11,17,21,24H,3-4,12-16H2,1-2H3,(H,27,30).
What are the key properties of 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide?
1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24517524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).