4-(4-methylpent-1-en-2-yl)piperazin-2-one

C10H18N2O — CID 58459904

IUPAC4-(4-methylpent-1-en-2-yl)piperazin-2-one
SMILESC=C(CC(C)C)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O/c1-8(2)6-9(3)12-5-4-11-10(13)7-12/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyFQARBRKSCLIGSF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.98
Rot. Bonds3

About 4-(4-methylpent-1-en-2-yl)piperazin-2-one

4-(4-methylpent-1-en-2-yl)piperazin-2-one (PubChem CID 58459904) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(4-methylpent-1-en-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-methylpent-1-en-2-yl)piperazin-2-one
PubChem CID58459904
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(4-methylpent-1-en-2-yl)piperazin-2-one
SMILESC=C(CC(C)C)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O/c1-8(2)6-9(3)12-5-4-11-10(13)7-12/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyFQARBRKSCLIGSF-UHFFFAOYSA-N
XLogP0.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-1-en-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-methylpent-1-en-2-yl)piperazin-2-one (CID 58459904) is 4-(4-methylpent-1-en-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-methylpent-1-en-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-methylpent-1-en-2-yl)piperazin-2-one is C=C(CC(C)C)N1CCNC(=O)C1.
What is the InChIKey of 4-(4-methylpent-1-en-2-yl)piperazin-2-one?
The InChIKey is FQARBRKSCLIGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)6-9(3)12-5-4-11-10(13)7-12/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 4-(4-methylpent-1-en-2-yl)piperazin-2-one?
4-(4-methylpent-1-en-2-yl)piperazin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-1-en-2-yl)piperazin-2-one is sourced from PubChem (CID 58459904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).