N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C16H23F3N2O2 — CID 110344189

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-10-4-7-13(11-21)14(22)20-9-8-12-5-2-1-3-6-12/h5,13H,1-4,6-11H2,(H,20,22)
InChIKeyYZLBNIKJGOIXTQ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344189) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344189
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-10-4-7-13(11-21)14(22)20-9-8-12-5-2-1-3-6-12/h5,13H,1-4,6-11H2,(H,20,22)
InChIKeyYZLBNIKJGOIXTQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.79
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 N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344189) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is YZLBNIKJGOIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c17-16(18,19)15(23)21-10-4-7-13(11-21)14(22)20-9-8-12-5-2-1-3-6-12/h5,13H,1-4,6-11H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).