cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C16H22N2O2S — CID 2818006

IUPACcyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H22N2O2S/c19-15(13-5-2-1-3-6-13)17-8-10-18(11-9-17)16(20)14-7-4-12-21-14/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyGEKPOZYSBMLBMQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.61
Rot. Bonds2

About cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 2818006) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID2818006
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Namecyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H22N2O2S/c19-15(13-5-2-1-3-6-13)17-8-10-18(11-9-17)16(20)14-7-4-12-21-14/h4,7,12-13H,1-3,5-6,8-11H2
InChIKeyGEKPOZYSBMLBMQ-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 2818006) is cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cccs1)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GEKPOZYSBMLBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15(13-5-2-1-3-6-13)17-8-10-18(11-9-17)16(20)14-7-4-12-21-14/h4,7,12-13H,1-3,5-6,8-11H2.
What are the key properties of cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 306.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2818006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).