cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone

C16H21NOS — CID 71787057

IUPACcyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C16H21NOS/c18-16(14-5-2-1-3-6-14)17-10-8-13(9-11-17)15-7-4-12-19-15/h1-2,4,7,12-14H,3,5-6,8-11H2
InChIKeyJCRFQKBRLYMQNA-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.81
Rot. Bonds2

About cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone

cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone (PubChem CID 71787057) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
PubChem CID71787057
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Namecyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(c2cccs2)CC1
InChIInChI=1S/C16H21NOS/c18-16(14-5-2-1-3-6-14)17-10-8-13(9-11-17)15-7-4-12-19-15/h1-2,4,7,12-14H,3,5-6,8-11H2
InChIKeyJCRFQKBRLYMQNA-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone (CID 71787057) is cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone is O=C(C1CC=CCC1)N1CCC(c2cccs2)CC1.
What is the InChIKey of cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone?
The InChIKey is JCRFQKBRLYMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(14-5-2-1-3-6-14)17-10-8-13(9-11-17)15-7-4-12-19-15/h1-2,4,7,12-14H,3,5-6,8-11H2.
What are the key properties of cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone?
cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone has a molecular weight of 275.42 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 71787057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).