(4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H18F3N3O — CID 79207218

IUPAC(4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-17-3-5-18(6-4-17)11(19)9-1-2-10(16)7-9/h1-2,9-10H,3-8,16H2
InChIKeyOTASZZIHLJJOFO-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.60
Rot. Bonds2

About (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 79207218) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID79207218
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name(4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNC1C=CC(C(=O)N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-17-3-5-18(6-4-17)11(19)9-1-2-10(16)7-9/h1-2,9-10H,3-8,16H2
InChIKeyOTASZZIHLJJOFO-UHFFFAOYSA-N
XLogP0.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 79207218) is (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is NC1C=CC(C(=O)N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is OTASZZIHLJJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)8-17-3-5-18(6-4-17)11(19)9-1-2-10(16)7-9/h1-2,9-10H,3-8,16H2.
What are the key properties of (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 277.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 79207218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).