N-(trifluoromethyl)piperidine-1-carboxamide

C7H11F3N2O — CID 108865905

IUPACN-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC(F)(F)F)N1CCCCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)11-6(13)12-4-2-1-3-5-12/h1-5H2,(H,11,13)
InChIKeyPKXYXKVJJTVFJQ-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.70
Rot. Bonds

About N-(trifluoromethyl)piperidine-1-carboxamide

N-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 108865905) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID108865905
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NC(F)(F)F)N1CCCCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)11-6(13)12-4-2-1-3-5-12/h1-5H2,(H,11,13)
InChIKeyPKXYXKVJJTVFJQ-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Piperidinecarboxamide
CID 72887
N-Methyl-1-piperidinecarboxamide
CID 3442879
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)piperidine-1-carboxamide
CID 3473547
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide
CID 2836448
3-(Trifluoromethyl)piperidine-1-carboxamide
CID 60703187
4-(Trifluoromethyl)piperidine-1-carboxamide
CID 65534456
3,3-Difluoropiperidine-1-carboxamide
CID 89026210
4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 89616505
1-(2,2,2-Trifluoroethyl)-1,3-diazinan-2-one
CID 115370911
2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115584040
N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115592891

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(trifluoromethyl)piperidine-1-carboxamide (CID 108865905) is N-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(trifluoromethyl)piperidine-1-carboxamide is O=C(NC(F)(F)F)N1CCCCC1.
What is the InChIKey of N-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is PKXYXKVJJTVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)11-6(13)12-4-2-1-3-5-12/h1-5H2,(H,11,13).
What are the key properties of N-(trifluoromethyl)piperidine-1-carboxamide?
N-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 108865905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).