(3S)-3-methylpiperazin-2-one

C5H10N2O — CID 13190462

IUPAC(3S)-3-methylpiperazin-2-one
SMILESC[C@@H]1NCCNC1=O
InChIInChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyBSPUWRUTIOUGMZ-BYPYZUCNSA-N
MW114.15 g/mol
LogP-0.91
Rot. Bonds

About (3S)-3-methylpiperazin-2-one

(3S)-3-methylpiperazin-2-one (PubChem CID 13190462) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (3S)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-methylpiperazin-2-one
PubChem CID13190462
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(3S)-3-methylpiperazin-2-one
SMILESC[C@@H]1NCCNC1=O
InChIInChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyBSPUWRUTIOUGMZ-BYPYZUCNSA-N
XLogP-0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-methylpiperazin-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 (3S)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-3-methylpiperazin-2-one (CID 13190462) is (3S)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-3-methylpiperazin-2-one is C[C@@H]1NCCNC1=O.
What is the InChIKey of (3S)-3-methylpiperazin-2-one?
The InChIKey is BSPUWRUTIOUGMZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (3S)-3-methylpiperazin-2-one?
(3S)-3-methylpiperazin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpiperazin-2-one is sourced from PubChem (CID 13190462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).