[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone

C23H23FN4O — CID 109193488

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H23FN4O/c1-26(19-5-3-2-4-6-19)21-11-12-22(25-17-21)23(29)28-15-13-27(14-16-28)20-9-7-18(24)8-10-20/h2-12,17H,13-16H2,1H3
InChIKeyMTUXSNPJZRRAMW-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.95
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone (PubChem CID 109193488) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
PubChem CID109193488
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C23H23FN4O/c1-26(19-5-3-2-4-6-19)21-11-12-22(25-17-21)23(29)28-15-13-27(14-16-28)20-9-7-18(24)8-10-20/h2-12,17H,13-16H2,1H3
InChIKeyMTUXSNPJZRRAMW-UHFFFAOYSA-N
XLogP3.95
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
(5-anilinopyrazin-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285593
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285588
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
CID 109262099
[5-(tert-butylamino)pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285584
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone (CID 109193488) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone is CN(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone?
The InChIKey is MTUXSNPJZRRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-26(19-5-3-2-4-6-19)21-11-12-22(25-17-21)23(29)28-15-13-27(14-16-28)20-9-7-18(24)8-10-20/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone has a molecular weight of 390.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(N-methylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109193488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).