4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one

C9H18N2O2 — CID 130841155

IUPAC4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
SMILESCC[C@H](O)CN1CCN(C)C(=O)C1
InChIInChI=1S/C9H18N2O2/c1-3-8(12)6-11-5-4-10(2)9(13)7-11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyJQOUTYYOFJLNLQ-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.47
Rot. Bonds3

About 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one

4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one (PubChem CID 130841155) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
PubChem CID130841155
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
SMILESCC[C@H](O)CN1CCN(C)C(=O)C1
InChIInChI=1S/C9H18N2O2/c1-3-8(12)6-11-5-4-10(2)9(13)7-11/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyJQOUTYYOFJLNLQ-QMMMGPOBSA-N
XLogP-0.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-2-hydroxybutyl]-1-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

Related Compounds

3,3,3-trifluoro-2-[(4-methyl-3-oxopiperazin-1-yl)methyl]propanoic acid
CID 80996020
4-[2-hydroxy-3-(4-methyl-3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 64683066
4-butyl-1-methylpiperazin-2-one
CID 117005150
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
CID 62928789
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568
1-butyl-4-(2,3-dihydroxypropyl)piperazin-2-one
CID 131941282
4-(2-chloroethyl)-1-methylpiperazin-2-one
CID 125497778
2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
CID 169251204
4-(2-hydroxybutyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70737370
2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid
CID 64695120
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one (CID 130841155) is 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one is CC[C@H](O)CN1CCN(C)C(=O)C1.
What is the InChIKey of 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one?
The InChIKey is JQOUTYYOFJLNLQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8(12)6-11-5-4-10(2)9(13)7-11/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one?
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one has a molecular weight of 186.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 130841155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).