4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one

C14H24N2O2 — CID 63600501

IUPAC4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-12-14(18)15-8-9-16(12)13(17)10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyLIWZTEFPNMGECU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds3

About 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one

4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one (PubChem CID 63600501) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
PubChem CID63600501
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)CC1CCCCC1
InChIInChI=1S/C14H24N2O2/c1-2-12-14(18)15-8-9-16(12)13(17)10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyLIWZTEFPNMGECU-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
CID 119773833
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate
CID 54786079
(3R)-3-ethyl-4-[2-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]acetyl]piperazin-2-one
CID 92633607
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
CID 124559943
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
CID 104678212
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one (CID 63600501) is 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)CC1CCCCC1.
What is the InChIKey of 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one?
The InChIKey is LIWZTEFPNMGECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-12-14(18)15-8-9-16(12)13(17)10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one?
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).