1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone

C19H25ClN2O2 — CID 78788737

IUPAC1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H25ClN2O2/c20-17-9-5-4-8-16(17)19(24)22-12-10-21(11-13-22)18(23)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyARDYBDFULYIIRG-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.59
Rot. Bonds3

About 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone

1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 78788737) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
PubChem CID78788737
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H25ClN2O2/c20-17-9-5-4-8-16(17)19(24)22-12-10-21(11-13-22)18(23)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2
InChIKeyARDYBDFULYIIRG-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
2-chloro-N-[5-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55830537
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
2-(1-aminocyclobutyl)-1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 91659714
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120629969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone (CID 78788737) is 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone is O=C(CC1CCCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is ARDYBDFULYIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-17-9-5-4-8-16(17)19(24)22-12-10-21(11-13-22)18(23)14-15-6-2-1-3-7-15/h4-5,8-9,15H,1-3,6-7,10-14H2.
What are the key properties of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone?
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 348.87 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 78788737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).