2-imino-1-piperazin-1-ylhex-3-en-1-one

C10H17N3O — CID 163264206

IUPAC2-imino-1-piperazin-1-ylhex-3-en-1-one
SMILES[H]/N=C(\C=CCC)C(=O)N1CCNCC1
InChIInChI=1S/C10H17N3O/c1-2-3-4-9(11)10(14)13-7-5-12-6-8-13/h3-4,11-12H,2,5-8H2,1H3/b4-3?,11-9+
InChIKeyLFRFEFWTFGAAHK-QYSCNRAJSA-N
MW195.27 g/mol
LogP0.40
Rot. Bonds3

About 2-imino-1-piperazin-1-ylhex-3-en-1-one

2-imino-1-piperazin-1-ylhex-3-en-1-one (PubChem CID 163264206) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-imino-1-piperazin-1-ylhex-3-en-1-one.

Molecular Properties

Compound Name2-imino-1-piperazin-1-ylhex-3-en-1-one
PubChem CID163264206
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-imino-1-piperazin-1-ylhex-3-en-1-one
SMILES[H]/N=C(\C=CCC)C(=O)N1CCNCC1
InChIInChI=1S/C10H17N3O/c1-2-3-4-9(11)10(14)13-7-5-12-6-8-13/h3-4,11-12H,2,5-8H2,1H3/b4-3?,11-9+
InChIKeyLFRFEFWTFGAAHK-QYSCNRAJSA-N
XLogP0.40
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-imino-1-piperazin-1-ylhex-3-en-1-one 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-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287441
N-[2-[4-(2,3-dihydropyridin-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70287663
2-ethenylimino-N-[2-(4-methylpiperazin-1-yl)ethyl]but-3-enamide
CID 123143185
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
6-(piperazin-1-ylmethyl)-3H-pyridin-2-one
CID 130175995
(Z)-2-methyl-1-piperazin-1-ylpent-3-en-1-one
CID 130331535
ethane;(Z)-5-methylimino-1-(4-methylpiperazin-1-yl)hex-3-en-1-one
CID 142217273
N-(2,3-dihydropyridin-6-ylmethyl)acetamide
CID 143023357
N-(2-aminoethyl)-2,3-dihydropyridine-6-carboxamide
CID 143114264
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-piperazin-1-ylhex-3-en-1-one?
The IUPAC name of 2-imino-1-piperazin-1-ylhex-3-en-1-one (CID 163264206) is 2-imino-1-piperazin-1-ylhex-3-en-1-one.
What is the SMILES notation for 2-imino-1-piperazin-1-ylhex-3-en-1-one?
The canonical SMILES for 2-imino-1-piperazin-1-ylhex-3-en-1-one is [H]/N=C(\C=CCC)C(=O)N1CCNCC1.
What is the InChIKey of 2-imino-1-piperazin-1-ylhex-3-en-1-one?
The InChIKey is LFRFEFWTFGAAHK-QYSCNRAJSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-9(11)10(14)13-7-5-12-6-8-13/h3-4,11-12H,2,5-8H2,1H3/b4-3?,11-9+.
What are the key properties of 2-imino-1-piperazin-1-ylhex-3-en-1-one?
2-imino-1-piperazin-1-ylhex-3-en-1-one has a molecular weight of 195.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-piperazin-1-ylhex-3-en-1-one is sourced from PubChem (CID 163264206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).