4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one

C16H16F3N3O — CID 138387482

IUPAC4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc[nH]1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-2-6-20-14(10-13)22-7-3-11(4-8-22)12-1-5-21-15(23)9-12/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23)
InChIKeyPDYPJDDLNYWBQF-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.17
Rot. Bonds2

About 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138387482) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138387482
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc[nH]1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)13-2-6-20-14(10-13)22-7-3-11(4-8-22)12-1-5-21-15(23)9-12/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23)
InChIKeyPDYPJDDLNYWBQF-UHFFFAOYSA-N
XLogP3.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67244637
2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
4-[4-(trifluoromethyl)-2-pyridinyl]thiomorpholine
CID 121020750
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine
CID 171335362
2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 79372086
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138387482) is 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one is O=c1cc(C2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc[nH]1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is PDYPJDDLNYWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)13-2-6-20-14(10-13)22-7-3-11(4-8-22)12-1-5-21-15(23)9-12/h1-2,5-6,9-11H,3-4,7-8H2,(H,21,23).
What are the key properties of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 323.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138387482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).