4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide

C12H18F6N2O — CID 671812

IUPAC4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(C)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O/c1-3-10(11(13,14)15,12(16,17)18)19-9(21)20-6-4-8(2)5-7-20/h8H,3-7H2,1-2H3,(H,19,21)
InChIKeyHKNACKSCJMMDIT-UHFFFAOYSA-N
MW320.28 g/mol
LogP3.70
Rot. Bonds2

About 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide

4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 671812) has the molecular formula C12H18F6N2O and a molecular weight of 320.28 g/mol. Its IUPAC name is 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide
PubChem CID671812
Molecular FormulaC12H18F6N2O
Molecular Weight320.28 g/mol
Exact Mass320.13
IUPAC Name4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCC(C)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6N2O/c1-3-10(11(13,14)15,12(16,17)18)19-9(21)20-6-4-8(2)5-7-20/h8H,3-7H2,1-2H3,(H,19,21)
InChIKeyHKNACKSCJMMDIT-UHFFFAOYSA-N
XLogP3.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide (CID 671812) is 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide is CCC(NC(=O)N1CCC(C)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is HKNACKSCJMMDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6N2O/c1-3-10(11(13,14)15,12(16,17)18)19-9(21)20-6-4-8(2)5-7-20/h8H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide?
4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 320.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 671812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).