1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide

C8H11F3N2O2 — CID 62735060

IUPAC1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7(15)13-4-2-1-3-5(13)6(12)14/h5H,1-4H2,(H2,12,14)
InChIKeyHOYYMRCHELPWNZ-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.42
Rot. Bonds1

About 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide

1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide (PubChem CID 62735060) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
PubChem CID62735060
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c9-8(10,11)7(15)13-4-2-1-3-5(13)6(12)14/h5H,1-4H2,(H2,12,14)
InChIKeyHOYYMRCHELPWNZ-UHFFFAOYSA-N
XLogP0.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 115006809
(2S)-1-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 110867508
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-2-carboxamide
CID 103733524
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
2,2,2-trifluoro-1-[2-(2-sulfanylidene-1,3-oxazolidine-3-carbonyl)piperidin-1-yl]ethanone
CID 86242153
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-propanoylpiperidine-2-carboxamide
CID 60717244
4-(2-carbamoylpiperidin-1-yl)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991584

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide (CID 62735060) is 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide?
The InChIKey is HOYYMRCHELPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c9-8(10,11)7(15)13-4-2-1-3-5(13)6(12)14/h5H,1-4H2,(H2,12,14).
What are the key properties of 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide?
1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide has a molecular weight of 224.18 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide is sourced from PubChem (CID 62735060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).