(5S)-5-ethylpiperazin-2-one

C6H12N2O — CID 93005355

IUPAC(5S)-5-ethylpiperazin-2-one
SMILESCC[C@H]1CNC(=O)CN1
InChIInChI=1S/C6H12N2O/c1-2-5-3-8-6(9)4-7-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyIBIZGOHPUHJPNV-YFKPBYRVSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds1

About (5S)-5-ethylpiperazin-2-one

(5S)-5-ethylpiperazin-2-one (PubChem CID 93005355) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (5S)-5-ethylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-5-ethylpiperazin-2-one
PubChem CID93005355
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(5S)-5-ethylpiperazin-2-one
SMILESCC[C@H]1CNC(=O)CN1
InChIInChI=1S/C6H12N2O/c1-2-5-3-8-6(9)4-7-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyIBIZGOHPUHJPNV-YFKPBYRVSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1,3-diazinan-4-one
CID 71303953
(5R)-5-ethylpiperidine-2,4-dione
CID 86318642
ethane;5-propan-2-ylpiperazin-2-one
CID 144543180
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 71356739
aziridin-2-one
CID 158991665
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
tert-butyl 5-oxopiperazine-2-carboxylate
CID 103846290
7-ethyl-5-oxo-1,4-diazepane-2-carboxylic acid
CID 105442020
N-(4-ethylcyclohexyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107435465
5-(iodomethyl)piperazin-2-one;2-piperidin-1-ylbutanamide
CID 174948616
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethylpiperazin-2-one?
The IUPAC name of (5S)-5-ethylpiperazin-2-one (CID 93005355) is (5S)-5-ethylpiperazin-2-one.
What is the SMILES notation for (5S)-5-ethylpiperazin-2-one?
The canonical SMILES for (5S)-5-ethylpiperazin-2-one is CC[C@H]1CNC(=O)CN1.
What is the InChIKey of (5S)-5-ethylpiperazin-2-one?
The InChIKey is IBIZGOHPUHJPNV-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-3-8-6(9)4-7-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (5S)-5-ethylpiperazin-2-one?
(5S)-5-ethylpiperazin-2-one has a molecular weight of 128.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethylpiperazin-2-one is sourced from PubChem (CID 93005355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).