1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone

C15H28N2O — CID 104750771

IUPAC1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)C2CCCCC2)CC1C
InChIInChI=1S/C15H28N2O/c1-3-17-10-9-16(11-13(17)2)12-15(18)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeySNUQTQIOZZMYHV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds4

About 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone

1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone (PubChem CID 104750771) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
PubChem CID104750771
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
SMILESCCN1CCN(CC(=O)C2CCCCC2)CC1C
InChIInChI=1S/C15H28N2O/c1-3-17-10-9-16(11-13(17)2)12-15(18)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKeySNUQTQIOZZMYHV-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 104749900
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088
ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125816
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
2-(2-cyclohexyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104751025
butyl 2-(4-ethyl-3-methylpiperazin-1-yl)acetate
CID 63609586
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone (CID 104750771) is 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone is CCN1CCN(CC(=O)C2CCCCC2)CC1C.
What is the InChIKey of 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
The InChIKey is SNUQTQIOZZMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-17-10-9-16(11-13(17)2)12-15(18)14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone?
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 104750771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).