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

C15H25F3N2O — CID 114908529

IUPACN-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)11-8-9-13(19-10-11)14(21)20-12-6-4-2-1-3-5-7-12/h11-13,19H,1-10H2,(H,20,21)
InChIKeyLTNDEASNGIIWDW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.15
Rot. Bonds2

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

N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908529) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908529
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)11-8-9-13(19-10-11)14(21)20-12-6-4-2-1-3-5-7-12/h11-13,19H,1-10H2,(H,20,21)
InChIKeyLTNDEASNGIIWDW-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908529) is N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NC1CCCCCCC1)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is LTNDEASNGIIWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c16-15(17,18)11-8-9-13(19-10-11)14(21)20-12-6-4-2-1-3-5-7-12/h11-13,19H,1-10H2,(H,20,21).
What are the key properties of N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide?
N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).