1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide

C25H32N2O3 — CID 55406258

IUPAC1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NC(C)c2ccccc2)C1c1ccccc1OC
InChIInChI=1S/C25H32N2O3/c1-4-5-17-27-23(28)16-15-21(24(27)20-13-9-10-14-22(20)30-3)25(29)26-18(2)19-11-7-6-8-12-19/h6-14,18,21,24H,4-5,15-17H2,1-3H3,(H,26,29)
InChIKeyOCXLWTSMZCUGFL-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.65
Rot. Bonds8

About 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide

1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 55406258) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID55406258
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NC(C)c2ccccc2)C1c1ccccc1OC
InChIInChI=1S/C25H32N2O3/c1-4-5-17-27-23(28)16-15-21(24(27)20-13-9-10-14-22(20)30-3)25(29)26-18(2)19-11-7-6-8-12-19/h6-14,18,21,24H,4-5,15-17H2,1-3H3,(H,26,29)
InChIKeyOCXLWTSMZCUGFL-UHFFFAOYSA-N
XLogP4.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 78816437
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
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
(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-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
1-butyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 78866680
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 94144287
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide (CID 55406258) is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NC(C)c2ccccc2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is OCXLWTSMZCUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-4-5-17-27-23(28)16-15-21(24(27)20-13-9-10-14-22(20)30-3)25(29)26-18(2)19-11-7-6-8-12-19/h6-14,18,21,24H,4-5,15-17H2,1-3H3,(H,26,29).
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide?
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55406258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).