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

C26H34N2O3S — CID 134008480

IUPAC1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)N(C)Cc2ccc(SC)cc2)C1c1ccccc1OC
InChIInChI=1S/C26H34N2O3S/c1-5-6-17-28-24(29)16-15-22(25(28)21-9-7-8-10-23(21)31-3)26(30)27(2)18-19-11-13-20(32-4)14-12-19/h7-14,22,25H,5-6,15-18H2,1-4H3
InChIKeyWAEJNZVMONDKDW-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.16
Rot. Bonds9

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

1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 134008480) has the molecular formula C26H34N2O3S and a molecular weight of 454.64 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID134008480
Molecular FormulaC26H34N2O3S
Molecular Weight454.64 g/mol
Exact Mass454.23
IUPAC Name1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)N(C)Cc2ccc(SC)cc2)C1c1ccccc1OC
InChIInChI=1S/C26H34N2O3S/c1-5-6-17-28-24(29)16-15-22(25(28)21-9-7-8-10-23(21)31-3)26(30)27(2)18-19-11-13-20(32-4)14-12-19/h7-14,22,25H,5-6,15-18H2,1-4H3
InChIKeyWAEJNZVMONDKDW-UHFFFAOYSA-N
XLogP5.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 46523381
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55862308
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087368
(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-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24584036
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 134008480) is 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)N(C)Cc2ccc(SC)cc2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WAEJNZVMONDKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3S/c1-5-6-17-28-24(29)16-15-22(25(28)21-9-7-8-10-23(21)31-3)26(30)27(2)18-19-11-13-20(32-4)14-12-19/h7-14,22,25H,5-6,15-18H2,1-4H3.
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 454.64 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 134008480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).