2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide

C18H27N3O5 — CID 87851422

IUPAC2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCN(CCC=O)CC2)c(OC)c1
InChIInChI=1S/C18H27N3O5/c1-24-14-11-15(25-2)18(16(12-14)26-3)19-17(23)13-21-8-6-20(7-9-21)5-4-10-22/h10-12H,4-9,13H2,1-3H3,(H,19,23)
InChIKeyKUVDUPGIMVNHPW-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.86
Rot. Bonds9

About 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide

2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide (PubChem CID 87851422) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide
PubChem CID87851422
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Name2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCN(CCC=O)CC2)c(OC)c1
InChIInChI=1S/C18H27N3O5/c1-24-14-11-15(25-2)18(16(12-14)26-3)19-17(23)13-21-8-6-20(7-9-21)5-4-10-22/h10-12H,4-9,13H2,1-3H3,(H,19,23)
InChIKeyKUVDUPGIMVNHPW-UHFFFAOYSA-N
XLogP0.86
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide 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

4-(3-oxopropyl)-N-(2,4,6-trimethoxyphenyl)piperazine-1-carboxamide
CID 87851551
N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide;dihydrochloride
CID 3050698
N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 1439205
2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021753
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33074129
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
methyl 2-[[4-[2-(2,6-diethylanilino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethoxybenzoate
CID 3559788
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide (CID 87851422) is 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide is COc1cc(OC)c(NC(=O)CN2CCN(CCC=O)CC2)c(OC)c1.
What is the InChIKey of 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide?
The InChIKey is KUVDUPGIMVNHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-24-14-11-15(25-2)18(16(12-14)26-3)19-17(23)13-21-8-6-20(7-9-21)5-4-10-22/h10-12H,4-9,13H2,1-3H3,(H,19,23).
What are the key properties of 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide?
2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 0.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxopropyl)piperazin-1-yl]-N-(2,4,6-trimethoxyphenyl)acetamide is sourced from PubChem (CID 87851422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).