[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone

C21H23N5O2 — CID 120734945

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cn(-c2cccc(C)c2)nn1
InChIInChI=1S/C21H23N5O2/c1-15-6-5-7-16(12-15)26-14-18(23-24-26)21(27)25-11-10-22-13-19(25)17-8-3-4-9-20(17)28-2/h3-9,12,14,19,22H,10-11,13H2,1-2H3
InChIKeyDILDOMRDMVIZJJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.37
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone (PubChem CID 120734945) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
PubChem CID120734945
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cn(-c2cccc(C)c2)nn1
InChIInChI=1S/C21H23N5O2/c1-15-6-5-7-16(12-15)26-14-18(23-24-26)21(27)25-11-10-22-13-19(25)17-8-3-4-9-20(17)28-2/h3-9,12,14,19,22H,10-11,13H2,1-2H3
InChIKeyDILDOMRDMVIZJJ-UHFFFAOYSA-N
XLogP2.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120733890
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120737611
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734883
2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide
CID 120734604
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734882
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733613
[2-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone;dihydrochloride
CID 120733748

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone (CID 120734945) is [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone is COc1ccccc1C1CNCCN1C(=O)c1cn(-c2cccc(C)c2)nn1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The InChIKey is DILDOMRDMVIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-6-5-7-16(12-15)26-14-18(23-24-26)21(27)25-11-10-22-13-19(25)17-8-3-4-9-20(17)28-2/h3-9,12,14,19,22H,10-11,13H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 120734945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).