(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone

C21H20FN5O2 — CID 30752856

IUPAC(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H20FN5O2/c1-15-19(24-27(23-15)16-7-3-2-4-8-16)21(29)26-13-11-25(12-14-26)20(28)17-9-5-6-10-18(17)22/h2-10H,11-14H2,1H3
InChIKeyACJAGUGXHUYEOR-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.31
Rot. Bonds3

About (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 30752856) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID30752856
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H20FN5O2/c1-15-19(24-27(23-15)16-7-3-2-4-8-16)21(29)26-13-11-25(12-14-26)20(28)17-9-5-6-10-18(17)22/h2-10H,11-14H2,1H3
InChIKeyACJAGUGXHUYEOR-UHFFFAOYSA-N
XLogP2.31
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
2-(3-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-methyltriazole-4-carboxamide
CID 78875640
[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-phenylmethanone
CID 17445120
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 31329220
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 56821404
N-butyl-2-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]acetamide
CID 43020077
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 50849333
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone (CID 30752856) is (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ACJAGUGXHUYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-15-19(24-27(23-15)16-7-3-2-4-8-16)21(29)26-13-11-25(12-14-26)20(28)17-9-5-6-10-18(17)22/h2-10H,11-14H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 393.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30752856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).