cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone

C12H17F2NO — CID 126793498

IUPACcyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CC=CC2)CCC1(F)F
InChIInChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h2-3,9-10H,4-8H2,1H3
InChIKeyATLFPAAHGJGMRM-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.46
Rot. Bonds1

About cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone

cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone (PubChem CID 126793498) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
PubChem CID126793498
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Namecyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CC=CC2)CCC1(F)F
InChIInChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h2-3,9-10H,4-8H2,1H3
InChIKeyATLFPAAHGJGMRM-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone (CID 126793498) is cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)C2CC=CC2)CCC1(F)F.
What is the InChIKey of cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
The InChIKey is ATLFPAAHGJGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-9-8-15(7-6-12(9,13)14)11(16)10-4-2-3-5-10/h2-3,9-10H,4-8H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone?
cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone has a molecular weight of 229.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 126793498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).