N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H23F3N2O — CID 103461941

IUPACN-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H23F3N2O/c1-4-12(2,3)8-18-11(19)10-6-5-9(7-17-10)13(14,15)16/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyPALZSZINRNTAAF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds4

About N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 103461941) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID103461941
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C13H23F3N2O/c1-4-12(2,3)8-18-11(19)10-6-5-9(7-17-10)13(14,15)16/h9-10,17H,4-8H2,1-3H3,(H,18,19)
InChIKeyPALZSZINRNTAAF-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
(2S)-N-(cyanomethyl)-4-methyl-2-{[(2S)-1,1,1-trifluorohexan-2-yl]amino}pentanamide
CID 23648298
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(2S)-N-(cyanomethyl)-4-methyl-2-[(2,2,2-trifluoroethyl)amino]pentanamide
CID 23648297
(3R,6R)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 12206395
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
Cyclo-(L-Val-L-Leu)
CID 124306170
(S)-3-Isobutylpiperazin-2-one
CID 11693939
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 14877502
(3R,6R)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 44566899

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 103461941) is N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CCC(C)(C)CNC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is PALZSZINRNTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-12(2,3)8-18-11(19)10-6-5-9(7-17-10)13(14,15)16/h9-10,17H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 103461941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).