N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H23F3N2O2 — CID 71998426

IUPACN-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C=C(C)C)C1
InChIInChI=1S/C15H23F3N2O2/c1-4-19(10-15(16,17)18)14(22)12-6-5-7-20(9-12)13(21)8-11(2)3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyHPMYGRYITVVUJJ-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 71998426) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID71998426
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC NameN-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C=C(C)C)C1
InChIInChI=1S/C15H23F3N2O2/c1-4-19(10-15(16,17)18)14(22)12-6-5-7-20(9-12)13(21)8-11(2)3/h8,12H,4-7,9-10H2,1-3H3
InChIKeyHPMYGRYITVVUJJ-UHFFFAOYSA-N
XLogP2.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 71998426) is N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)C=C(C)C)C1.
What is the InChIKey of N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HPMYGRYITVVUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-4-19(10-15(16,17)18)14(22)12-6-5-7-20(9-12)13(21)8-11(2)3/h8,12H,4-7,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylbut-2-enoyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 71998426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).