N-piperazin-1-ylprop-2-enamide

C7H13N3O — CID 54213094

IUPACN-piperazin-1-ylprop-2-enamide
SMILESC=CC(=O)NN1CCNCC1
InChIInChI=1S/C7H13N3O/c1-2-7(11)9-10-5-3-8-4-6-10/h2,8H,1,3-6H2,(H,9,11)
InChIKeyPXHJVQVRLHQCKM-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.89
Rot. Bonds2

About N-piperazin-1-ylprop-2-enamide

N-piperazin-1-ylprop-2-enamide (PubChem CID 54213094) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-piperazin-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-piperazin-1-ylprop-2-enamide
PubChem CID54213094
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-piperazin-1-ylprop-2-enamide
SMILESC=CC(=O)NN1CCNCC1
InChIInChI=1S/C7H13N3O/c1-2-7(11)9-10-5-3-8-4-6-10/h2,8H,1,3-6H2,(H,9,11)
InChIKeyPXHJVQVRLHQCKM-UHFFFAOYSA-N
XLogP-0.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-piperazin-1-ylprop-2-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

Piperazine acrylamide
CID 23287322
N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 18678965
2-methyl-N-piperazin-1-ylprop-2-enamide
CID 20037672
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
CID 123958058
N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
CID 139442569
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
CID 151497719
N-(2-hydrazinylethyl)prop-2-enamide
CID 151723314
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
N-piperazin-1-yl-N-prop-2-enoylprop-2-enamide
CID 174900220
piperazine;1H-triazin-6-one
CID 175460234
N-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 175942150

Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-ylprop-2-enamide?
The IUPAC name of N-piperazin-1-ylprop-2-enamide (CID 54213094) is N-piperazin-1-ylprop-2-enamide.
What is the SMILES notation for N-piperazin-1-ylprop-2-enamide?
The canonical SMILES for N-piperazin-1-ylprop-2-enamide is C=CC(=O)NN1CCNCC1.
What is the InChIKey of N-piperazin-1-ylprop-2-enamide?
The InChIKey is PXHJVQVRLHQCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-7(11)9-10-5-3-8-4-6-10/h2,8H,1,3-6H2,(H,9,11).
What are the key properties of N-piperazin-1-ylprop-2-enamide?
N-piperazin-1-ylprop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylprop-2-enamide is sourced from PubChem (CID 54213094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).