1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone

C19H19F3N4O2 — CID 109209109

IUPAC1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)CC1
InChIInChI=1S/C19H19F3N4O2/c1-13(27)25-8-10-26(11-9-25)18(28)17-12-16(6-7-23-17)24-15-4-2-14(3-5-15)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyDUNJMLVYPJUGAC-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.15
Rot. Bonds3

About 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109209109) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109209109
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)CC1
InChIInChI=1S/C19H19F3N4O2/c1-13(27)25-8-10-26(11-9-25)18(28)17-12-16(6-7-23-17)24-15-4-2-14(3-5-15)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,23,24)
InChIKeyDUNJMLVYPJUGAC-UHFFFAOYSA-N
XLogP3.15
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
1-[4-[2-[4-(trifluoromethyl)anilino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109303213
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-(3-chloro-4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209092
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109205195
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109201821
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109209109) is 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is DUNJMLVYPJUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-13(27)25-8-10-26(11-9-25)18(28)17-12-16(6-7-23-17)24-15-4-2-14(3-5-15)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,23,24).
What are the key properties of 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 392.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109209109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).