[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone

C17H19FN4O — CID 84573425

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H19FN4O/c1-19-16-4-2-3-15(20-16)17(23)22-11-9-21(10-12-22)14-7-5-13(18)6-8-14/h2-8H,9-12H2,1H3,(H,19,20)
InChIKeyWJQWYIWQIMZALF-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.22
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone (PubChem CID 84573425) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
PubChem CID84573425
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C17H19FN4O/c1-19-16-4-2-3-15(20-16)17(23)22-11-9-21(10-12-22)14-7-5-13(18)6-8-14/h2-8H,9-12H2,1H3,(H,19,20)
InChIKeyWJQWYIWQIMZALF-UHFFFAOYSA-N
XLogP2.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509959
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
1,3-dihydroisoindol-2-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 62232700
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 107226312
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285584
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
CID 109193488
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[6-(methylamino)-2-pyridinyl]methanone
CID 55143086
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone (CID 84573425) is [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone is CNc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is WJQWYIWQIMZALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-19-16-4-2-3-15(20-16)17(23)22-11-9-21(10-12-22)14-7-5-13(18)6-8-14/h2-8H,9-12H2,1H3,(H,19,20).
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 314.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 84573425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).