(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

C17H15F4N3O — CID 133371264

IUPAC(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3c(F)c(F)nc(F)c3F)CC2)cc1
InChIInChI=1S/C17H15F4N3O/c1-10-2-4-11(5-3-10)17(25)24-8-6-23(7-9-24)14-12(18)15(20)22-16(21)13(14)19/h2-5H,6-9H2,1H3
InChIKeyQLBYULCKWZDZTC-UHFFFAOYSA-N
MW353.32 g/mol
LogP2.91
Rot. Bonds2

About (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone

(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (PubChem CID 133371264) has the molecular formula C17H15F4N3O and a molecular weight of 353.32 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
PubChem CID133371264
Molecular FormulaC17H15F4N3O
Molecular Weight353.32 g/mol
Exact Mass353.12
IUPAC Name(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3c(F)c(F)nc(F)c3F)CC2)cc1
InChIInChI=1S/C17H15F4N3O/c1-10-2-4-11(5-3-10)17(25)24-8-6-23(7-9-24)14-12(18)15(20)22-16(21)13(14)19/h2-5H,6-9H2,1H3
InChIKeyQLBYULCKWZDZTC-UHFFFAOYSA-N
XLogP2.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371548
(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371349
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone
CID 127043362
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(2,3-dichlorophenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371366
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133372675
[4-(2-bromo-6-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 169336868

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone (CID 133371264) is (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3c(F)c(F)nc(F)c3F)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is QLBYULCKWZDZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O/c1-10-2-4-11(5-3-10)17(25)24-8-6-23(7-9-24)14-12(18)15(20)22-16(21)13(14)19/h2-5H,6-9H2,1H3.
What are the key properties of (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone?
(4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 353.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 133371264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).