4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C13H22F3N3O — CID 115583954

IUPAC4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)10-17-12(20)19-8-4-11(5-9-19)18-6-2-1-3-7-18/h11H,1-10H2,(H,17,20)
InChIKeyXJOBZNUMXXWQDS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.21
Rot. Bonds2

About 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115583954) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115583954
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC Name4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)10-17-12(20)19-8-4-11(5-9-19)18-6-2-1-3-7-18/h11H,1-10H2,(H,17,20)
InChIKeyXJOBZNUMXXWQDS-UHFFFAOYSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
ethyl 4-[4-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]azepane-1-carboxylate
CID 71570295
4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113462923
3-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113463057
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71868032
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573175

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115583954) is 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is XJOBZNUMXXWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)10-17-12(20)19-8-4-11(5-9-19)18-6-2-1-3-7-18/h11H,1-10H2,(H,17,20).
What are the key properties of 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115583954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).