4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one

C11H23N3O — CID 112546742

IUPAC4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(C(C)CN)CC(=O)N1
InChIInChI=1S/C11H23N3O/c1-8(2)4-10-6-14(9(3)5-12)7-11(15)13-10/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyKIFPHHYRPWENQZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds4

About 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one

4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one (PubChem CID 112546742) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one
PubChem CID112546742
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1CN(C(C)CN)CC(=O)N1
InChIInChI=1S/C11H23N3O/c1-8(2)4-10-6-14(9(3)5-12)7-11(15)13-10/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyKIFPHHYRPWENQZ-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-aminopropan-2-yl)-6-(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 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one (CID 112546742) is 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one is CC(C)CC1CN(C(C)CN)CC(=O)N1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one?
The InChIKey is KIFPHHYRPWENQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)4-10-6-14(9(3)5-12)7-11(15)13-10/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one?
4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one has a molecular weight of 213.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-6-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 112546742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).