2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone

C18H26N2O — CID 806694

IUPAC2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c21-18(15-16-7-3-1-4-8-16)20-13-11-19(12-14-20)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2
InChIKeyQXEVEIYHSYQOPD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.31
Rot. Bonds3

About 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone

2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 806694) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID806694
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c21-18(15-16-7-3-1-4-8-16)20-13-11-19(12-14-20)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2
InChIKeyQXEVEIYHSYQOPD-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860795
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
(3R,4aR,8aR)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 7085433
2-[(2-cyclohexylacetyl)amino]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60615120
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
CID 86955748

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone (CID 806694) is 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CC1CCCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QXEVEIYHSYQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(15-16-7-3-1-4-8-16)20-13-11-19(12-14-20)17-9-5-2-6-10-17/h2,5-6,9-10,16H,1,3-4,7-8,11-15H2.
What are the key properties of 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone?
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 286.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 806694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).