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

C9H12F3N3O — CID 115598305

IUPAC4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-14-8(16)15-3-1-7(5-13)2-4-15/h7H,1-4,6H2,(H,14,16)
InChIKeyDTDPOUMCDIGYBA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.49
Rot. Bonds1

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

4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 115598305) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID115598305
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-14-8(16)15-3-1-7(5-13)2-4-15/h7H,1-4,6H2,(H,14,16)
InChIKeyDTDPOUMCDIGYBA-UHFFFAOYSA-N
XLogP1.49
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.49
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-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
4-cyano-N-methylpiperidine-1-carboxamide
CID 78942309
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-cyanopiperidine-1-carboxamide
CID 48957326
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110312656
4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113462923
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573175
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
4-sulfamoyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47401631
1-butanoylpiperidine-4-carbonitrile
CID 39237347

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 115598305) is 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is N#CC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is DTDPOUMCDIGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)6-14-8(16)15-3-1-7(5-13)2-4-15/h7H,1-4,6H2,(H,14,16).
What are the key properties of 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115598305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).