1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C8H13F3N2O — CID 42950662

IUPAC1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14/h6H,1-5H2,(H2,12,14)
InChIKeyFFUOMOJGJGMBKD-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.75
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 42950662) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID42950662
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14/h6H,1-5H2,(H2,12,14)
InChIKeyFFUOMOJGJGMBKD-UHFFFAOYSA-N
XLogP0.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 58877777
1-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 21060232
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
1-(2-hydroxy-2,3-dimethylbutyl)piperidine-3-carboxamide
CID 114447589
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)piperidine-3-carboxamide
CID 79628715
(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512781
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 110903689
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 42950662) is 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is NC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is FFUOMOJGJGMBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-13-3-1-2-6(4-13)7(12)14/h6H,1-5H2,(H2,12,14).
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42950662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).