1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one

C12H23N3O — CID 22980195

IUPAC1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
SMILESCC(C)N1CCC(N2CCNCC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-10(2)14-6-3-11(4-7-14)15-8-5-13-9-12(15)16/h10-11,13H,3-9H2,1-2H3
InChIKeyZGZLFEOQFZTAIY-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one

1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one (PubChem CID 22980195) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
PubChem CID22980195
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
SMILESCC(C)N1CCC(N2CCNCC2=O)CC1
InChIInChI=1S/C12H23N3O/c1-10(2)14-6-3-11(4-7-14)15-8-5-13-9-12(15)16/h10-11,13H,3-9H2,1-2H3
InChIKeyZGZLFEOQFZTAIY-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-propan-2-ylpiperidin-4-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 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one (CID 22980195) is 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one is CC(C)N1CCC(N2CCNCC2=O)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one?
The InChIKey is ZGZLFEOQFZTAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)14-6-3-11(4-7-14)15-8-5-13-9-12(15)16/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one?
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one is sourced from PubChem (CID 22980195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).