phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone

C18H16F3N3O2 — CID 33497333

IUPACphenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-6-14(12-22-15)17(26)24-10-8-23(9-11-24)16(25)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyLZEUSVXCWTVQIW-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.70
Rot. Bonds2

About phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone

phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 33497333) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID33497333
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Namephenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-6-14(12-22-15)17(26)24-10-8-23(9-11-24)16(25)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyLZEUSVXCWTVQIW-UHFFFAOYSA-N
XLogP2.70
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 30773012
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
(2-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 162626442
(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795
(1R,5S)-3-[6-(trifluoromethyl)pyridine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135118218
[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119423684
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128
N-tert-butyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 39463575

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone (CID 33497333) is phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is LZEUSVXCWTVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)15-7-6-14(12-22-15)17(26)24-10-8-23(9-11-24)16(25)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone?
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 363.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 33497333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).