N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide

C11H16F6N2O — CID 11616479

IUPACN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H16F6N2O/c1-7-3-5-19(6-4-7)8(20)18-9(2,10(12,13)14)11(15,16)17/h7H,3-6H2,1-2H3,(H,18,20)
InChIKeyQTBSBTKSYZFARX-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.31
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide

N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 11616479) has the molecular formula C11H16F6N2O and a molecular weight of 306.25 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID11616479
Molecular FormulaC11H16F6N2O
Molecular Weight306.25 g/mol
Exact Mass306.12
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H16F6N2O/c1-7-3-5-19(6-4-7)8(20)18-9(2,10(12,13)14)11(15,16)17/h7H,3-6H2,1-2H3,(H,18,20)
InChIKeyQTBSBTKSYZFARX-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide (CID 11616479) is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(C)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is QTBSBTKSYZFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2O/c1-7-3-5-19(6-4-7)8(20)18-9(2,10(12,13)14)11(15,16)17/h7H,3-6H2,1-2H3,(H,18,20).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide?
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 306.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 11616479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).