1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

C19H20FN3O2 — CID 110366908

IUPAC1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(F)c(C(=O)CN2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-14-4-5-17(20)16(11-14)18(24)13-22-7-9-23(10-8-22)19(25)15-3-2-6-21-12-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyGLMHDYPOFSFXRW-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.17
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone

1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110366908) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110366908
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(F)c(C(=O)CN2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H20FN3O2/c1-14-4-5-17(20)16(11-14)18(24)13-22-7-9-23(10-8-22)19(25)15-3-2-6-21-12-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyGLMHDYPOFSFXRW-UHFFFAOYSA-N
XLogP2.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110659521
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-1-(2-fluoro-5-methylphenyl)ethanone
CID 110366873
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368714
(3,4-difluorophenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798837
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
1-[4-(3-methylbenzoyl)piperazin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110632670
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone (CID 110366908) is 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(F)c(C(=O)CN2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GLMHDYPOFSFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-14-4-5-17(20)16(11-14)18(24)13-22-7-9-23(10-8-22)19(25)15-3-2-6-21-12-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone?
1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 341.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110366908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).