N-(3-piperazin-1-ylpropyl)pent-4-enamide

C12H23N3O — CID 62679296

IUPACN-(3-piperazin-1-ylpropyl)pent-4-enamide
SMILESC=CCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C12H23N3O/c1-2-3-5-12(16)14-6-4-9-15-10-7-13-8-11-15/h2,13H,1,3-11H2,(H,14,16)
InChIKeyNLXBXYIKWHRBCR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.36
Rot. Bonds7

About N-(3-piperazin-1-ylpropyl)pent-4-enamide

N-(3-piperazin-1-ylpropyl)pent-4-enamide (PubChem CID 62679296) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)pent-4-enamide
PubChem CID62679296
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(3-piperazin-1-ylpropyl)pent-4-enamide
SMILESC=CCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C12H23N3O/c1-2-3-5-12(16)14-6-4-9-15-10-7-13-8-11-15/h2,13H,1,3-11H2,(H,14,16)
InChIKeyNLXBXYIKWHRBCR-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.36
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-(3-piperazin-1-ylpropyl)pent-4-enamide 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

N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
CID 119447035
2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394504
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
1-oct-7-enylpiperazine
CID 67041339
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)pent-4-enamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)pent-4-enamide (CID 62679296) is N-(3-piperazin-1-ylpropyl)pent-4-enamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)pent-4-enamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)pent-4-enamide is C=CCCC(=O)NCCCN1CCNCC1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)pent-4-enamide?
The InChIKey is NLXBXYIKWHRBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-3-5-12(16)14-6-4-9-15-10-7-13-8-11-15/h2,13H,1,3-11H2,(H,14,16).
What are the key properties of N-(3-piperazin-1-ylpropyl)pent-4-enamide?
N-(3-piperazin-1-ylpropyl)pent-4-enamide has a molecular weight of 225.34 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)pent-4-enamide is sourced from PubChem (CID 62679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).