1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone

C14H24N2O3 — CID 127992790

IUPAC1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone
SMILESCC(=O)N1CCN(C(=O)C(O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-11(17)15-7-9-16(10-8-15)14(19)13(18)12-5-3-2-4-6-12/h12-13,18H,2-10H2,1H3
InChIKeyVHWJYZNRAWHGAV-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.62
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone

1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone (PubChem CID 127992790) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone
PubChem CID127992790
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone
SMILESCC(=O)N1CCN(C(=O)C(O)C2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c1-11(17)15-7-9-16(10-8-15)14(19)13(18)12-5-3-2-4-6-12/h12-13,18H,2-10H2,1H3
InChIKeyVHWJYZNRAWHGAV-UHFFFAOYSA-N
XLogP0.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-1-[4-(2-hydroxyethyl)piperazinyl]propan-1-one
CID 2996064
3-Hydroxy-1-[1-(2-methylpropanoyl)piperidin-4-YL]-1-azaspiro[3.5]nonan-2-one
CID 91912874
1-(1-Butanoylpiperidin-4-YL)-3-hydroxy-1-azaspiro[3.5]nonan-2-one
CID 91912879
3-Hydroxy-1-(1-propanoylpiperidin-4-yl)-1-azaspiro[3.5]nonan-2-one
CID 110204025
(2R,3R)-3-cyclohexyl-2-hydroxy-3-iodo-N,N-di(propan-2-yl)propanamide
CID 11361014
(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
2-cyclohexyl-2-hydroxy-N,N-dimethylacetamide
CID 316976
1-[4-(4,4-Difluorocyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 109915071
(1R)-1-cyclohexyl-2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 124217151
2-cyclohexyl-N-[2-(diethylamino)ethyl]-2-hydroxyacetamide;hydrochloride
CID 24191438
(1R)-1-cyclohexyl-2-[4-(ethoxymethyl)piperidin-1-yl]-2-oxoethanol
CID 56722289
2-Cyclohexyl-1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]ethanone
CID 71783042

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone (CID 127992790) is 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone is CC(=O)N1CCN(C(=O)C(O)C2CCCCC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone?
The InChIKey is VHWJYZNRAWHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(17)15-7-9-16(10-8-15)14(19)13(18)12-5-3-2-4-6-12/h12-13,18H,2-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone?
1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone has a molecular weight of 268.36 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-cyclohexyl-2-hydroxyethanone is sourced from PubChem (CID 127992790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).