3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide

C10H14F6N2O — CID 103309477

IUPAC3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide
SMILESCC1CCC(NC(=O)C(C(F)(F)F)C(F)(F)F)CN1
InChIInChI=1S/C10H14F6N2O/c1-5-2-3-6(4-17-5)18-8(19)7(9(11,12)13)10(14,15)16/h5-7,17H,2-4H2,1H3,(H,18,19)
InChIKeyGVCXRGNDUKQNHH-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.98
Rot. Bonds2

About 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide (PubChem CID 103309477) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide
PubChem CID103309477
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide
SMILESCC1CCC(NC(=O)C(C(F)(F)F)C(F)(F)F)CN1
InChIInChI=1S/C10H14F6N2O/c1-5-2-3-6(4-17-5)18-8(19)7(9(11,12)13)10(14,15)16/h5-7,17H,2-4H2,1H3,(H,18,19)
InChIKeyGVCXRGNDUKQNHH-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(piperidin-3-yl)propanamide
CID 20118171
2,2,2-trifluoro-N-(4-methylpiperidin-3-yl)acetamide
CID 122702900
1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 102978512
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
3,3,3-trifluoro-N-[(3S)-piperidin-3-yl]propanamide hydrochloride
CID 119033621
rac-2,2,2-trifluoro-N-((3R,4R)-4-methylpiperidin-3-yl)acetamide
CID 124251655
N-(2,2-difluoroethyl)-2,2,2-trifluoro-N-(piperidin-3-yl)acetamide
CID 137963851
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
4,4,4-trifluoro-N-[(3S)-piperidin-3-yl]butanamide
CID 97004912
N-[(3R,6S)-1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 132323406
2,2,2-trifluoro-N-[(2S,3R,4R)-4-methyl-2-(trifluoromethyl)piperidin-3-yl]acetamide
CID 136589257
N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3089727

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide (CID 103309477) is 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide is CC1CCC(NC(=O)C(C(F)(F)F)C(F)(F)F)CN1.
What is the InChIKey of 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is GVCXRGNDUKQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c1-5-2-3-6(4-17-5)18-8(19)7(9(11,12)13)10(14,15)16/h5-7,17H,2-4H2,1H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 292.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).