4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C12H21F3N2O — CID 58394886

IUPAC4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-11(2,3)9-4-6-17(7-5-9)10(18)16-8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeyKBQBKGZLRLJJOG-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.02
Rot. Bonds1

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

4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 58394886) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID58394886
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-11(2,3)9-4-6-17(7-5-9)10(18)16-8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeyKBQBKGZLRLJJOG-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113462923
4-piperidin-1-yl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115583954
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
4-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 118688704
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
4-tert-butyl-N-methylazepane-1-carboxamide
CID 115631035
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
CID 127463918
(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-(4-tert-butylpiperidin-1-yl)ethanone;ethane
CID 165078981

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 58394886) is 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CC(C)(C)C1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is KBQBKGZLRLJJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-11(2,3)9-4-6-17(7-5-9)10(18)16-8-12(13,14)15/h9H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 58394886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).