cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone

C17H24N2O2S — CID 71783014

IUPACcyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H24N2O2S/c20-15(16-7-4-12-22-16)13-18-8-10-19(11-9-18)17(21)14-5-2-1-3-6-14/h1-2,4,7,12,14-15,20H,3,5-6,8-11,13H2
InChIKeyGGELKNPDINMQBW-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.28
Rot. Bonds4

About cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone

cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 71783014) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID71783014
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Namecyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H24N2O2S/c20-15(16-7-4-12-22-16)13-18-8-10-19(11-9-18)17(21)14-5-2-1-3-6-14/h1-2,4,7,12,14-15,20H,3,5-6,8-11,13H2
InChIKeyGGELKNPDINMQBW-UHFFFAOYSA-N
XLogP2.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
(2-bromophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782979
2-(4-chlorophenoxy)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603399

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone (CID 71783014) is cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone is O=C(C1CC=CCC1)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is GGELKNPDINMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-15(16-7-4-12-22-16)13-18-8-10-19(11-9-18)17(21)14-5-2-1-3-6-14/h1-2,4,7,12,14-15,20H,3,5-6,8-11,13H2.
What are the key properties of cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 320.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71783014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).