4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one

C18H22Cl2N2O2 — CID 175603562

IUPAC4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
SMILESO=C1CCC(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C18H22Cl2N2O2/c19-15-2-1-3-16(18(15)20)21-8-10-22(11-9-21)17(24)12-13-4-6-14(23)7-5-13/h1-3,13H,4-12H2
InChIKeySBSHVPOSGFULKA-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.79
Rot. Bonds3

About 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one

4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one (PubChem CID 175603562) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
PubChem CID175603562
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
SMILESO=C1CCC(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)CC1
InChIInChI=1S/C18H22Cl2N2O2/c19-15-2-1-3-16(18(15)20)21-8-10-22(11-9-21)17(24)12-13-4-6-14(23)7-5-13/h1-3,13H,4-12H2
InChIKeySBSHVPOSGFULKA-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-(4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 175603511
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069399
2-cyclopentyl-1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]ethanone
CID 55567234
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
CID 138022261
methyl 4-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 113080518
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 78788737
5-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
CID 46936098
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2,3-dichlorophenyl)propan-1-one
CID 55684386
3-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 71798084
3-amino-1-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123371291

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one (CID 175603562) is 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one is O=C1CCC(CC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one?
The InChIKey is SBSHVPOSGFULKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c19-15-2-1-3-16(18(15)20)21-8-10-22(11-9-21)17(24)12-13-4-6-14(23)7-5-13/h1-3,13H,4-12H2.
What are the key properties of 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one?
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one has a molecular weight of 369.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one is sourced from PubChem (CID 175603562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).