[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone

C17H21ClN2O — CID 134059602

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(C1CC=CCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H21ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h1-2,4,7-8,13-14H,3,5-6,9-12H2
InChIKeyGRHIZSKOEKIMKO-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.34
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone

[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone (PubChem CID 134059602) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
PubChem CID134059602
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(C1CC=CCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H21ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h1-2,4,7-8,13-14H,3,5-6,9-12H2
InChIKeyGRHIZSKOEKIMKO-UHFFFAOYSA-N
XLogP3.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
[4-(3-chlorophenyl)piperazin-1-yl]-(thian-2-yl)methanone
CID 110854479
[(1S)-cyclohex-3-en-1-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 96571910
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
(4-aminocyclopent-2-en-1-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 79191829

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone (CID 134059602) is [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone is O=C(C1CC=CCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The InChIKey is GRHIZSKOEKIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c18-15-7-4-8-16(13-15)19-9-11-20(12-10-19)17(21)14-5-2-1-3-6-14/h1-2,4,7-8,13-14H,3,5-6,9-12H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone has a molecular weight of 304.82 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone is sourced from PubChem (CID 134059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).