[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone

C17H23ClN2O — CID 119401673

IUPAC[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C17H23ClN2O/c18-15-6-4-5-14(13-15)17(7-2-1-3-8-17)16(21)20-11-9-19-10-12-20/h4-6,13,19H,1-3,7-12H2
InChIKeySESBTVFPXODNSS-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.97
Rot. Bonds2

About [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone

[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone (PubChem CID 119401673) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
PubChem CID119401673
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)C1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C17H23ClN2O/c18-15-6-4-5-14(13-15)17(7-2-1-3-8-17)16(21)20-11-9-19-10-12-20/h4-6,13,19H,1-3,7-12H2
InChIKeySESBTVFPXODNSS-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 18536151
1-[1-(3-chlorophenyl)cyclohexanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251972
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone (CID 119401673) is [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)C1(c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone?
The InChIKey is SESBTVFPXODNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c18-15-6-4-5-14(13-15)17(7-2-1-3-8-17)16(21)20-11-9-19-10-12-20/h4-6,13,19H,1-3,7-12H2.
What are the key properties of [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone?
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone has a molecular weight of 306.84 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119401673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).