N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C14H16F4N2O — CID 114908554

IUPACN-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H16F4N2O/c15-11-4-2-1-3-9(11)7-20-13(21)12-6-5-10(8-19-12)14(16,17)18/h1-4,10,12,19H,5-8H2,(H,20,21)
InChIKeyOXYJOBAWEHGUCY-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.37
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908554) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908554
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1F)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H16F4N2O/c15-11-4-2-1-3-9(11)7-20-13(21)12-6-5-10(8-19-12)14(16,17)18/h1-4,10,12,19H,5-8H2,(H,20,21)
InChIKeyOXYJOBAWEHGUCY-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908554) is N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NCc1ccccc1F)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is OXYJOBAWEHGUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-11-4-2-1-3-9(11)7-20-13(21)12-6-5-10(8-19-12)14(16,17)18/h1-4,10,12,19H,5-8H2,(H,20,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 304.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).