4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one

C19H19F3N4O — CID 171615126

IUPAC4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cccc(Nc3ccc(N4CCCCC4C(F)(F)F)cc3)c12
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)16-6-1-2-11-26(16)13-9-7-12(8-10-13)23-14-4-3-5-15-17(14)18(27)25-24-15/h3-5,7-10,16,23H,1-2,6,11H2,(H2,24,25,27)
InChIKeyDTUTWVXTMKBORW-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.52
Rot. Bonds3

About 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one

4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one (PubChem CID 171615126) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one
PubChem CID171615126
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cccc(Nc3ccc(N4CCCCC4C(F)(F)F)cc3)c12
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)16-6-1-2-11-26(16)13-9-7-12(8-10-13)23-14-4-3-5-15-17(14)18(27)25-24-15/h3-5,7-10,16,23H,1-2,6,11H2,(H2,24,25,27)
InChIKeyDTUTWVXTMKBORW-UHFFFAOYSA-N
XLogP4.52
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(trifluoromethyl)piperidine
CID 144718854
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
4-(3-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
CID 176837585
(2S)-1-naphthalen-1-yl-2-(trifluoromethyl)pyrrolidine
CID 86337138
4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
CID 163385456
4-[(3R)-3-methylmorpholin-4-yl]-6-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]-1H-pyridin-2-one
CID 130360002
4-(2-amino-5-methyl-4-pyridinyl)-6-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
CID 176837677
N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
6-[2-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279088
N-[4-(2-methylpiperidin-1-yl)phenyl]formamide
CID 168652769
2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine
CID 151128728
1-(3-fluorophenyl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101727

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one?
The IUPAC name of 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one (CID 171615126) is 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cccc(Nc3ccc(N4CCCCC4C(F)(F)F)cc3)c12.
What is the InChIKey of 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one?
The InChIKey is DTUTWVXTMKBORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)16-6-1-2-11-26(16)13-9-7-12(8-10-13)23-14-4-3-5-15-17(14)18(27)25-24-15/h3-5,7-10,16,23H,1-2,6,11H2,(H2,24,25,27).
What are the key properties of 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one?
4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one has a molecular weight of 376.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 171615126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).