N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride

C15H28ClN3O2 — CID 110283755

IUPACN-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
SMILESC=CCCCN1CCNC(CC(=O)NCCCC)C1=O.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-3-5-7-10-18-11-9-16-13(15(18)20)12-14(19)17-8-6-4-2;/h3,13,16H,1,4-12H2,2H3,(H,17,19);1H
InChIKeyONTVXTDIVONHCC-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.48
Rot. Bonds9

About N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride

N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride (PubChem CID 110283755) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
PubChem CID110283755
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
SMILESC=CCCCN1CCNC(CC(=O)NCCCC)C1=O.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-3-5-7-10-18-11-9-16-13(15(18)20)12-14(19)17-8-6-4-2;/h3,13,16H,1,4-12H2,2H3,(H,17,19);1H
InChIKeyONTVXTDIVONHCC-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride (CID 110283755) is N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride is C=CCCCN1CCNC(CC(=O)NCCCC)C1=O.Cl.
What is the InChIKey of N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
The InChIKey is ONTVXTDIVONHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-3-5-7-10-18-11-9-16-13(15(18)20)12-14(19)17-8-6-4-2;/h3,13,16H,1,4-12H2,2H3,(H,17,19);1H.
What are the key properties of N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride?
N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 110283755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).