(4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C12H17F3N2O — CID 79207068

IUPAC(4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)9-3-5-17(6-4-9)11(18)8-1-2-10(16)7-8/h1-2,8-10H,3-7,16H2
InChIKeyZSVHBYYCLHKGNE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.69
Rot. Bonds1

About (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 79207068) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID79207068
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)9-3-5-17(6-4-9)11(18)8-1-2-10(16)7-8/h1-2,8-10H,3-7,16H2
InChIKeyZSVHBYYCLHKGNE-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
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 (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 79207068) is (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is NC1C=CC(C(=O)N2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is ZSVHBYYCLHKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)9-3-5-17(6-4-9)11(18)8-1-2-10(16)7-8/h1-2,8-10H,3-7,16H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 262.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 79207068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).