1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one

C11H20N2O — CID 79658723

IUPAC1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C11H20N2O/c1-4-5-6-11(14)10-9-12(2)7-8-13(10)3/h4,10H,1,5-9H2,2-3H3
InChIKeyXKJYVQXYULJCDP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.77
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one

1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one (PubChem CID 79658723) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one
PubChem CID79658723
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one
SMILESC=CCCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C11H20N2O/c1-4-5-6-11(14)10-9-12(2)7-8-13(10)3/h4,10H,1,5-9H2,2-3H3
InChIKeyXKJYVQXYULJCDP-UHFFFAOYSA-N
XLogP0.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,4-dimethylpiperazin-2-yl)pent-4-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

1,2-Bis(prop-2-enyl)piperidin-3-one
CID 58105013
1-Methyl-2-(2-propen-1-yl)-4-piperidinone
CID 21922750
1-(1,4-Dimethylpiperazin-2-yl)prop-2-en-1-one
CID 54062929
(2S)-1-methyl-2-prop-2-enylpiperidin-4-one
CID 59905848
1-Oct-1-en-3-ylpiperidin-4-one
CID 70617366
1-Pentyl-2-prop-2-enylpiperidin-4-one
CID 70617367
1-(2-Ethylpiperidin-1-yl)pent-4-en-2-one
CID 89392455
1-Pent-4-en-2-ylpiperidin-4-one
CID 116040929
(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one
CID 118887081
(2R)-2-(aminomethyl)piperidin-3-one;but-1-ene
CID 163661670
1-Piperidin-1-ylhex-5-en-2-one
CID 15312313
3-Piperidin-1-ylhex-5-en-2-one
CID 23264738

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one (CID 79658723) is 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one is C=CCCC(=O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one?
The InChIKey is XKJYVQXYULJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-11(14)10-9-12(2)7-8-13(10)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one?
1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one has a molecular weight of 196.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)pent-4-en-1-one is sourced from PubChem (CID 79658723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).