4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C17H28ClN3O3 — CID 119392200

IUPAC4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCCCN2CCNCC2)cc1OC.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-3-23-15-6-5-14(13-16(15)22-2)17(21)19-7-4-10-20-11-8-18-9-12-20;/h5-6,13,18H,3-4,7-12H2,1-2H3,(H,19,21);1H
InChIKeyVUJSQOQYKYNOBX-UHFFFAOYSA-N
MW357.88 g/mol
LogP1.54
Rot. Bonds8

About 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119392200) has the molecular formula C17H28ClN3O3 and a molecular weight of 357.88 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119392200
Molecular FormulaC17H28ClN3O3
Molecular Weight357.88 g/mol
Exact Mass357.18
IUPAC Name4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCCCN2CCNCC2)cc1OC.Cl
InChIInChI=1S/C17H27N3O3.ClH/c1-3-23-15-6-5-14(13-16(15)22-2)17(21)19-7-4-10-20-11-8-18-9-12-20;/h5-6,13,18H,3-4,7-12H2,1-2H3,(H,19,21);1H
InChIKeyVUJSQOQYKYNOBX-UHFFFAOYSA-N
XLogP1.54
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride 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

3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391951
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
5-methoxy-N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119394320
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119392200) is 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is CCOc1ccc(C(=O)NCCCN2CCNCC2)cc1OC.Cl.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is VUJSQOQYKYNOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.ClH/c1-3-23-15-6-5-14(13-16(15)22-2)17(21)19-7-4-10-20-11-8-18-9-12-20;/h5-6,13,18H,3-4,7-12H2,1-2H3,(H,19,21);1H.
What are the key properties of 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119392200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).