N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide

C15H18F3N3O — CID 51098332

IUPACN-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)C1CC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-2-1-3-13(20-12)21-8-6-11(7-9-21)19-14(22)10-4-5-10/h1-3,10-11H,4-9H2,(H,19,22)
InChIKeyXOOQKTTUHNEPMJ-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.60
Rot. Bonds3

About N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 51098332) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID51098332
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)C1CC1
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-2-1-3-13(20-12)21-8-6-11(7-9-21)19-14(22)10-4-5-10/h1-3,10-11H,4-9H2,(H,19,22)
InChIKeyXOOQKTTUHNEPMJ-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide (CID 51098332) is N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(c2cccc(C(F)(F)F)n2)CC1)C1CC1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is XOOQKTTUHNEPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)12-2-1-3-13(20-12)21-8-6-11(7-9-21)19-14(22)10-4-5-10/h1-3,10-11H,4-9H2,(H,19,22).
What are the key properties of N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 313.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 51098332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).