[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone

C20H20FN5O — CID 20973762

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)cc1
InChIInChI=1S/C20H20FN5O/c1-15-6-8-16(9-7-15)26-14-18(22-23-26)20(27)25-12-10-24(11-13-25)19-5-3-2-4-17(19)21/h2-9,14H,10-13H2,1H3
InChIKeyFUCVHWJBRHBTJP-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.68
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone (PubChem CID 20973762) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
PubChem CID20973762
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
SMILESCc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)cc1
InChIInChI=1S/C20H20FN5O/c1-15-6-8-16(9-7-15)26-14-18(22-23-26)20(27)25-12-10-24(11-13-25)19-5-3-2-4-17(19)21/h2-9,14H,10-13H2,1H3
InChIKeyFUCVHWJBRHBTJP-UHFFFAOYSA-N
XLogP2.68
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Rufinamide
CID 129228
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 134218714
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-(1-p-Tolyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 645167
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 647546
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 649335
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888
[2-[6-(3-Fluorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 56663554
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone (CID 20973762) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone is Cc1ccc(-n2cc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)cc1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone?
The InChIKey is FUCVHWJBRHBTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-15-6-8-16(9-7-15)26-14-18(22-23-26)20(27)25-12-10-24(11-13-25)19-5-3-2-4-17(19)21/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone has a molecular weight of 365.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 20973762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).