1-methyl-4-(2-methylpropyl)piperazin-2-one

C9H18N2O — CID 117005151

IUPAC1-methyl-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C)C(=O)C1
InChIInChI=1S/C9H18N2O/c1-8(2)6-11-5-4-10(3)9(12)7-11/h8H,4-7H2,1-3H3
InChIKeyKVPOEXIKKMEAFB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds2

About 1-methyl-4-(2-methylpropyl)piperazin-2-one

1-methyl-4-(2-methylpropyl)piperazin-2-one (PubChem CID 117005151) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)piperazin-2-one
PubChem CID117005151
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-methyl-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C)C(=O)C1
InChIInChI=1S/C9H18N2O/c1-8(2)6-11-5-4-10(3)9(12)7-11/h8H,4-7H2,1-3H3
InChIKeyKVPOEXIKKMEAFB-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(2-methylpropyl)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 1-methyl-4-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(2-methylpropyl)piperazin-2-one (CID 117005151) is 1-methyl-4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C)C(=O)C1.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)piperazin-2-one?
The InChIKey is KVPOEXIKKMEAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)6-11-5-4-10(3)9(12)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)piperazin-2-one?
1-methyl-4-(2-methylpropyl)piperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 117005151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).