2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C25H32N2O5 — CID 24639536

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-16-6-9-19(10-7-16)27-23(28)13-11-20(25(29)26-17(2)15-30-3)24(27)18-8-12-21(31-4)22(14-18)32-5/h6-10,12,14,17,20,24H,11,13,15H2,1-5H3,(H,26,29)
InChIKeyDKBMELYTGBCLEP-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.65
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24639536) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID24639536
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H32N2O5/c1-16-6-9-19(10-7-16)27-23(28)13-11-20(25(29)26-17(2)15-30-3)24(27)18-8-12-21(31-4)22(14-18)32-5/h6-10,12,14,17,20,24H,11,13,15H2,1-5H3,(H,26,29)
InChIKeyDKBMELYTGBCLEP-UHFFFAOYSA-N
XLogP3.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-N-[(2S)-1-methoxypropan-2-yl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 52892748
2-oxopropyl (2R,3R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylate
CID 2485896
2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxo-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 43008212
N-[(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 166354574
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 22421992
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(4-methylcyclohexyl)-6-oxopiperidine-3-carboxamide
CID 42917796
N-[(2-bromo-5-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 166353524
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847
N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 112767965
N-(3-aminopropyl)-2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 119408864
(2R,3R)-N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 92654016
(2S,3S)-2-(3,4-dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 94850280

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 24639536) is 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is COCC(C)NC(=O)C1CCC(=O)N(c2ccc(C)cc2)C1c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is DKBMELYTGBCLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-16-6-9-19(10-7-16)27-23(28)13-11-20(25(29)26-17(2)15-30-3)24(27)18-8-12-21(31-4)22(14-18)32-5/h6-10,12,14,17,20,24H,11,13,15H2,1-5H3,(H,26,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24639536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).