(Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane

C17H30N2O — CID 177230428

IUPAC(Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane
SMILESC=C1CNCC(C2CCC2)N1/C(=C\CC)C(C)=O.CC
InChIInChI=1S/C15H24N2O.C2H6/c1-4-6-14(12(3)18)17-11(2)9-16-10-15(17)13-7-5-8-13;1-2/h6,13,15-16H,2,4-5,7-10H2,1,3H3;1-2H3/b14-6-;
InChIKeyAWDNVOVBJWJQSF-WQMRFYCQSA-N
MW278.44 g/mol
LogP3.48
Rot. Bonds4

About (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane

(Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane (PubChem CID 177230428) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane.

Molecular Properties

Compound Name(Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane
PubChem CID177230428
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name(Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane
SMILESC=C1CNCC(C2CCC2)N1/C(=C\CC)C(C)=O.CC
InChIInChI=1S/C15H24N2O.C2H6/c1-4-6-14(12(3)18)17-11(2)9-16-10-15(17)13-7-5-8-13;1-2/h6,13,15-16H,2,4-5,7-10H2,1,3H3;1-2H3/b14-6-;
InChIKeyAWDNVOVBJWJQSF-WQMRFYCQSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane 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 (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane?
The IUPAC name of (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane (CID 177230428) is (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane.
What is the SMILES notation for (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane?
The canonical SMILES for (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane is C=C1CNCC(C2CCC2)N1/C(=C\CC)C(C)=O.CC.
What is the InChIKey of (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane?
The InChIKey is AWDNVOVBJWJQSF-WQMRFYCQSA-N. The full InChI is InChI=1S/C15H24N2O.C2H6/c1-4-6-14(12(3)18)17-11(2)9-16-10-15(17)13-7-5-8-13;1-2/h6,13,15-16H,2,4-5,7-10H2,1,3H3;1-2H3/b14-6-;.
What are the key properties of (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane?
(Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane has a molecular weight of 278.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-cyclobutyl-6-methylidenepiperazin-1-yl)hex-3-en-2-one;ethane is sourced from PubChem (CID 177230428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).