3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one

C11H18N2O2 — CID 63602423

IUPAC3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1CC1C
InChIInChI=1S/C11H18N2O2/c1-3-9-10(14)12-4-5-13(9)11(15)8-6-7(8)2/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyLEVSORRIPCIGQL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.38
Rot. Bonds2

About 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one

3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one (PubChem CID 63602423) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
PubChem CID63602423
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)C1CC1C
InChIInChI=1S/C11H18N2O2/c1-3-9-10(14)12-4-5-13(9)11(15)8-6-7(8)2/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyLEVSORRIPCIGQL-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one
CID 120630858
3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
CID 63602606
(2S)-2-ethyl-3-oxopiperazine-1-carbothioamide
CID 95240750
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
CID 114094362
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
4-ethanimidoyl-3-ethylpiperazin-2-one
CID 63603080
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
2-[(2-ethyl-3-oxopiperazine-1-carbonyl)-methylamino]acetic acid
CID 55217318
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one (CID 63602423) is 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)C1CC1C.
What is the InChIKey of 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one?
The InChIKey is LEVSORRIPCIGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-9-10(14)12-4-5-13(9)11(15)8-6-7(8)2/h7-9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one?
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one is sourced from PubChem (CID 63602423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).