N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C17H27N3O4 — CID 719564

IUPACN-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(CCO)CC2)cc(OC)c1
InChIInChI=1S/C17H27N3O4/c1-23-15-11-14(12-16(13-15)24-2)18-17(22)3-4-19-5-7-20(8-6-19)9-10-21/h11-13,21H,3-10H2,1-2H3,(H,18,22)
InChIKeyWJXXLQYTSJZGOL-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.64
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 719564) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID719564
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(CCO)CC2)cc(OC)c1
InChIInChI=1S/C17H27N3O4/c1-23-15-11-14(12-16(13-15)24-2)18-17(22)3-4-19-5-7-20(8-6-19)9-10-21/h11-13,21H,3-10H2,1-2H3,(H,18,22)
InChIKeyWJXXLQYTSJZGOL-UHFFFAOYSA-N
XLogP0.64
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide 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

1-(3,5-Dimethoxyphenyl)piperazine
CID 2736205
N-(3,5-dimethoxyphenyl)propanamide
CID 702220
N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 885768
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 719567
N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
CID 742837
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide
CID 800748
N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 882001
N-(3-Methoxy-phenyl)-3-morpholin-4-yl-propionamide
CID 24747003
N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 645625
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 1342622

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 719564) is N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is COc1cc(NC(=O)CCN2CCN(CCO)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is WJXXLQYTSJZGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-23-15-11-14(12-16(13-15)24-2)18-17(22)3-4-19-5-7-20(8-6-19)9-10-21/h11-13,21H,3-10H2,1-2H3,(H,18,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 337.42 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 719564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).