2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C18H28ClN3O3 — CID 119391090

IUPAC2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-14(22)16-5-3-6-17(13-16)24-15(2)18(23)20-7-4-10-21-11-8-19-9-12-21;/h3,5-6,13,15,19H,4,7-12H2,1-2H3,(H,20,23);1H
InChIKeyKEPZZEOZCMGOHM-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.49
Rot. Bonds8

About 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119391090) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119391090
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCC(=O)c1cccc(OC(C)C(=O)NCCCN2CCNCC2)c1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-14(22)16-5-3-6-17(13-16)24-15(2)18(23)20-7-4-10-21-11-8-19-9-12-21;/h3,5-6,13,15,19H,4,7-12H2,1-2H3,(H,20,23);1H
InChIKeyKEPZZEOZCMGOHM-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;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

2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-(4-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391638
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
2-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 62048123
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
(2R)-2-(3-acetylphenoxy)-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 95248784
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
2-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445694
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119391090) is 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is CC(=O)c1cccc(OC(C)C(=O)NCCCN2CCNCC2)c1.Cl.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is KEPZZEOZCMGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-14(22)16-5-3-6-17(13-16)24-15(2)18(23)20-7-4-10-21-11-8-19-9-12-21;/h3,5-6,13,15,19H,4,7-12H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119391090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).