N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide

C11H17F3N2O — CID 163345445

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1)C1CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-16-5-1-2-9(6-16)15-10(17)8-3-4-8/h8-9H,1-7H2,(H,15,17)
InChIKeyLUBUPVQGRFMIIX-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.54
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 163345445) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID163345445
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1)C1CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-16-5-1-2-9(6-16)15-10(17)8-3-4-8/h8-9H,1-7H2,(H,15,17)
InChIKeyLUBUPVQGRFMIIX-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136582837
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60606505
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110957530
2,5-dimethyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 125145226
1-cyclohexyl-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110957529
(3S,5R)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 138626372

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide (CID 163345445) is N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCCN(CC(F)(F)F)C1)C1CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is LUBUPVQGRFMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)7-16-5-1-2-9(6-16)15-10(17)8-3-4-8/h8-9H,1-7H2,(H,15,17).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 250.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163345445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).