1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H25F3N2O2 — CID 71998431

IUPAC1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C17H25F3N2O2/c1-2-21(12-17(18,19)20)16(24)14-9-6-10-22(11-14)15(23)13-7-4-3-5-8-13/h3-4,13-14H,2,5-12H2,1H3
InChIKeyOKVGDUFPFHAFRE-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.99
Rot. Bonds4

About 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71998431) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71998431
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C2CC=CCC2)C1
InChIInChI=1S/C17H25F3N2O2/c1-2-21(12-17(18,19)20)16(24)14-9-6-10-22(11-14)15(23)13-7-4-3-5-8-13/h3-4,13-14H,2,5-12H2,1H3
InChIKeyOKVGDUFPFHAFRE-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.99
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 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71998431) is 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C2CC=CCC2)C1.
What is the InChIKey of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is OKVGDUFPFHAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-2-21(12-17(18,19)20)16(24)14-9-6-10-22(11-14)15(23)13-7-4-3-5-8-13/h3-4,13-14H,2,5-12H2,1H3.
What are the key properties of 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-ene-1-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71998431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).