3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide

C10H14F6N2O — CID 103309459

IUPAC3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1CCCCN1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-5-6-3-1-2-4-17-6/h6-7,17H,1-5H2,(H,18,19)
InChIKeyOVRCEHDWOIWUIG-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.99
Rot. Bonds3

About 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide (PubChem CID 103309459) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
PubChem CID103309459
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC Name3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1CCCCN1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-5-6-3-1-2-4-17-6/h6-7,17H,1-5H2,(H,18,19)
InChIKeyOVRCEHDWOIWUIG-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
1-tert-butyl-3-(piperidin-2-ylmethyl)urea
CID 43210550
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
1-cyclopropyl-3-(piperidin-2-ylmethyl)urea
CID 62700229
(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 143330187
N-(piperidin-2-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81479063
1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 130961670

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide (CID 103309459) is 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide is O=C(NCC1CCCCN1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide?
The InChIKey is OVRCEHDWOIWUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-5-6-3-1-2-4-17-6/h6-7,17H,1-5H2,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide has a molecular weight of 292.22 g/mol, XLogP of 1.99, 3 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-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).