3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C25H32N2O4 — CID 86934270

IUPAC3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)c1
InChIInChI=1S/C25H32N2O4/c1-19-7-10-21(11-8-19)27(18-25(29)26-15-5-4-6-16-26)24(28)14-9-20-17-22(30-2)12-13-23(20)31-3/h7-8,10-13,17H,4-6,9,14-16,18H2,1-3H3
InChIKeyOJXFPRMIYGSNSQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.99
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 86934270) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID86934270
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)c1
InChIInChI=1S/C25H32N2O4/c1-19-7-10-21(11-8-19)27(18-25(29)26-15-5-4-6-16-26)24(28)14-9-20-17-22(30-2)12-13-23(20)31-3/h7-8,10-13,17H,4-6,9,14-16,18H2,1-3H3
InChIKeyOJXFPRMIYGSNSQ-UHFFFAOYSA-N
XLogP3.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113174510
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
1-(4-methoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 86934297
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55550381
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(6-methyl-1H-indol-3-yl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 86934178
3-(2-chlorophenyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 37350811
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47070585
N-[2-(azepan-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 1259921

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 86934270) is 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is COc1ccc(OC)c(CCC(=O)N(CC(=O)N2CCCCC2)c2ccc(C)cc2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is OJXFPRMIYGSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19-7-10-21(11-8-19)27(18-25(29)26-15-5-4-6-16-26)24(28)14-9-20-17-22(30-2)12-13-23(20)31-3/h7-8,10-13,17H,4-6,9,14-16,18H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 424.54 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 86934270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).