N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C8H13F3N2O — CID 115592891

IUPACN-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6-12-7(14)13-4-2-1-3-5-13/h1-6H2,(H,12,14)
InChIKeyPTRCCDMYXZIRPJ-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.74
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115592891) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115592891
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)6-12-7(14)13-4-2-1-3-5-13/h1-6H2,(H,12,14)
InChIKeyPTRCCDMYXZIRPJ-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methyl-1-piperidinecarboxamide
CID 3442879
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
n-Butylpiperidine-1-carboxamide
CID 256864
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)piperidine-1-carboxamide
CID 3473547
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
N-methyl-4-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 132288983
(3R)-N-methyl-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 164640837
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)piperidine-1-carboxamide
CID 2836448
4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 68260776
3,3-Difluoropiperidine-1-carboxamide
CID 89026210
4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 89616505
N-(trifluoromethyl)piperidine-1-carboxamide
CID 108865905

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115592891) is N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is PTRCCDMYXZIRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)6-12-7(14)13-4-2-1-3-5-13/h1-6H2,(H,12,14).
What are the key properties of N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115592891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).