N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C15H25F3N2O — CID 114908719

IUPACN-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCC1CCCCC1NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C15H25F3N2O/c1-2-10-5-3-4-6-12(10)20-14(21)13-8-7-11(9-19-13)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21)
InChIKeyHIQQIEXHPWJDAR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds3

About N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908719) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908719
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCC1CCCCC1NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C15H25F3N2O/c1-2-10-5-3-4-6-12(10)20-14(21)13-8-7-11(9-19-13)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21)
InChIKeyHIQQIEXHPWJDAR-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908719) is N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CCC1CCCCC1NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is HIQQIEXHPWJDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-2-10-5-3-4-6-12(10)20-14(21)13-8-7-11(9-19-13)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21).
What are the key properties of N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).