N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C11H13F6N3O — CID 103309840

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCN1CCC(C#N)(NC(=O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H13F6N3O/c1-20-4-2-9(6-18,3-5-20)19-8(21)7(10(12,13)14)11(15,16)17/h7H,2-5H2,1H3,(H,19,21)
InChIKeyLTGFLKSIPQHCOZ-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.83
Rot. Bonds2

About N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309840) has the molecular formula C11H13F6N3O and a molecular weight of 317.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309840
Molecular FormulaC11H13F6N3O
Molecular Weight317.23 g/mol
Exact Mass317.10
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCN1CCC(C#N)(NC(=O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H13F6N3O/c1-20-4-2-9(6-18,3-5-20)19-8(21)7(10(12,13)14)11(15,16)17/h7H,2-5H2,1H3,(H,19,21)
InChIKeyLTGFLKSIPQHCOZ-UHFFFAOYSA-N
XLogP1.83
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309840) is N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CN1CCC(C#N)(NC(=O)C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is LTGFLKSIPQHCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F6N3O/c1-20-4-2-9(6-18,3-5-20)19-8(21)7(10(12,13)14)11(15,16)17/h7H,2-5H2,1H3,(H,19,21).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 317.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).