[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

C19H18ClN5O — CID 51176610

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H18ClN5O/c20-15-5-4-8-17(13-15)23-9-11-24(12-10-23)19(26)18-14-21-25(22-18)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2
InChIKeyURQIZOQPKUYSST-UHFFFAOYSA-N
MW367.84 g/mol
LogP2.88
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 51176610) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID51176610
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H18ClN5O/c20-15-5-4-8-17(13-15)23-9-11-24(12-10-23)19(26)18-14-21-25(22-18)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2
InChIKeyURQIZOQPKUYSST-UHFFFAOYSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122341014
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 110854458
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122334029
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122339956
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
1,4-diazepan-1-yl-(2-phenyltriazol-4-yl)methanone
CID 28774472
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 51176610) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is URQIZOQPKUYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-15-5-4-8-17(13-15)23-9-11-24(12-10-23)19(26)18-14-21-25(22-18)16-6-2-1-3-7-16/h1-8,13-14H,9-12H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 367.84 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 51176610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).