4-(5-methylhex-1-en-2-yl)piperazin-2-one

C11H20N2O — CID 89459520

IUPAC4-(5-methylhex-1-en-2-yl)piperazin-2-one
SMILESC=C(CCC(C)C)N1CCNC(=O)C1
InChIInChI=1S/C11H20N2O/c1-9(2)4-5-10(3)13-7-6-12-11(14)8-13/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyPAZNTURCOODVKG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.37
Rot. Bonds4

About 4-(5-methylhex-1-en-2-yl)piperazin-2-one

4-(5-methylhex-1-en-2-yl)piperazin-2-one (PubChem CID 89459520) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(5-methylhex-1-en-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-methylhex-1-en-2-yl)piperazin-2-one
PubChem CID89459520
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(5-methylhex-1-en-2-yl)piperazin-2-one
SMILESC=C(CCC(C)C)N1CCNC(=O)C1
InChIInChI=1S/C11H20N2O/c1-9(2)4-5-10(3)13-7-6-12-11(14)8-13/h9H,3-8H2,1-2H3,(H,12,14)
InChIKeyPAZNTURCOODVKG-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-methylhex-1-en-2-yl)piperazin-2-one 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 4-(5-methylhex-1-en-2-yl)piperazin-2-one?
The IUPAC name of 4-(5-methylhex-1-en-2-yl)piperazin-2-one (CID 89459520) is 4-(5-methylhex-1-en-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-methylhex-1-en-2-yl)piperazin-2-one?
The canonical SMILES for 4-(5-methylhex-1-en-2-yl)piperazin-2-one is C=C(CCC(C)C)N1CCNC(=O)C1.
What is the InChIKey of 4-(5-methylhex-1-en-2-yl)piperazin-2-one?
The InChIKey is PAZNTURCOODVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)4-5-10(3)13-7-6-12-11(14)8-13/h9H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 4-(5-methylhex-1-en-2-yl)piperazin-2-one?
4-(5-methylhex-1-en-2-yl)piperazin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylhex-1-en-2-yl)piperazin-2-one is sourced from PubChem (CID 89459520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).