3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide

C17H25N3O4 — CID 109018366

IUPAC3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H25N3O4/c1-13(21)20-10-8-19(9-11-20)7-6-17(22)18-15-12-14(23-2)4-5-16(15)24-3/h4-5,12H,6-11H2,1-3H3,(H,18,22)
InChIKeySTUSIOUTOFJSBE-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.20
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide

3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 109018366) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID109018366
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H25N3O4/c1-13(21)20-10-8-19(9-11-20)7-6-17(22)18-15-12-14(23-2)4-5-16(15)24-3/h4-5,12H,6-11H2,1-3H3,(H,18,22)
InChIKeySTUSIOUTOFJSBE-UHFFFAOYSA-N
XLogP1.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105238
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 91830032
N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
CID 91843290

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide (CID 109018366) is 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCN2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is STUSIOUTOFJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13(21)20-10-8-19(9-11-20)7-6-17(22)18-15-12-14(23-2)4-5-16(15)24-3/h4-5,12H,6-11H2,1-3H3,(H,18,22).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide?
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 335.40 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109018366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).