[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone

C20H20FN5O — CID 120737836

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCNCC3c3cccc(F)c3)c2)n[nH]1
InChIInChI=1S/C20H20FN5O/c1-13-23-19(25-24-13)15-5-2-6-16(10-15)20(27)26-9-8-22-12-18(26)14-4-3-7-17(21)11-14/h2-7,10-11,18,22H,8-9,12H2,1H3,(H,23,24,25)
InChIKeyLQWMDBDOXWLSLX-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.71
Rot. Bonds3

About [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone

[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone (PubChem CID 120737836) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
PubChem CID120737836
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCNCC3c3cccc(F)c3)c2)n[nH]1
InChIInChI=1S/C20H20FN5O/c1-13-23-19(25-24-13)15-5-2-6-16(10-15)20(27)26-9-8-22-12-18(26)14-4-3-7-17(21)11-14/h2-7,10-11,18,22H,8-9,12H2,1H3,(H,23,24,25)
InChIKeyLQWMDBDOXWLSLX-UHFFFAOYSA-N
XLogP2.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone with MolForge

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Related Compounds

[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736498
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 120737093
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone (CID 120737836) is [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CCNCC3c3cccc(F)c3)c2)n[nH]1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone?
The InChIKey is LQWMDBDOXWLSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-13-23-19(25-24-13)15-5-2-6-16(10-15)20(27)26-9-8-22-12-18(26)14-4-3-7-17(21)11-14/h2-7,10-11,18,22H,8-9,12H2,1H3,(H,23,24,25).
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone has a molecular weight of 365.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone is sourced from PubChem (CID 120737836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).