[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone

C21H22ClN5O2 — CID 70690087

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone
SMILESCOc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H22ClN5O2/c1-15-20(27(24-23-15)18-9-5-6-10-19(18)29-2)21(28)26-13-11-25(12-14-26)17-8-4-3-7-16(17)22/h3-10H,11-14H2,1-2H3
InChIKeyZGGZUMUIJNKZDO-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.20
Rot. Bonds4

About [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone (PubChem CID 70690087) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone
PubChem CID70690087
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone
SMILESCOc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H22ClN5O2/c1-15-20(27(24-23-15)18-9-5-6-10-19(18)29-2)21(28)26-13-11-25(12-14-26)17-8-4-3-7-16(17)22/h3-10H,11-14H2,1-2H3
InChIKeyZGGZUMUIJNKZDO-UHFFFAOYSA-N
XLogP3.20
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 56964013
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(2,6-dimethoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 70681682
1-(2-Chloro-4-methoxyphenyl)-N-(2-cyclohexyl-1,5-di methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-5-methyl-1H-1,2,3-tri azole-4-carboxamide
CID 118513266
1-[2-chloro-4-(trifluoromethoxy)phenyl]-N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-5-methyltriazole-4-carboxamide
CID 118513279
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(2-ethoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 70681680
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(2-hydroxyphenyl)-5-methyltriazol-4-yl]methanone
CID 70688068
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)triazol-4-yl]methanone
CID 70688069
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 70690086
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 70694317
[4-(2-Chloro-4-nitrophenyl)piperazin-1-yl]-[5-methyl-3-(2-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 70694318
[4-(2-Chloro-4-nitrophenyl)-1,4-diazepan-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 70683800
N-(4-chlorophenyl)-5-ethyl-3-(3-methoxyphenyl)-N-methyltriazole-4-carboxamide
CID 76322064

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone (CID 70690087) is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone is COc1ccccc1-n1nnc(C)c1C(=O)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
The InChIKey is ZGGZUMUIJNKZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-15-20(27(24-23-15)18-9-5-6-10-19(18)29-2)21(28)26-13-11-25(12-14-26)17-8-4-3-7-16(17)22/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone has a molecular weight of 411.89 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyltriazol-4-yl]methanone is sourced from PubChem (CID 70690087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).