2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide

C18H24N6O3 — CID 120734604

IUPAC2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cn(CC(=O)N(C)C)nn1
InChIInChI=1S/C18H24N6O3/c1-22(2)17(25)12-23-11-14(20-21-23)18(26)24-9-8-19-10-15(24)13-6-4-5-7-16(13)27-3/h4-7,11,15,19H,8-10,12H2,1-3H3
InChIKeyQHERFFMEPYHAAC-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.16
Rot. Bonds5

About 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide

2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide (PubChem CID 120734604) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide
PubChem CID120734604
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cn(CC(=O)N(C)C)nn1
InChIInChI=1S/C18H24N6O3/c1-22(2)17(25)12-23-11-14(20-21-23)18(26)24-9-8-19-10-15(24)13-6-4-5-7-16(13)27-3/h4-7,11,15,19H,8-10,12H2,1-3H3
InChIKeyQHERFFMEPYHAAC-UHFFFAOYSA-N
XLogP0.16
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734883
[1-[(3-fluorophenyl)methyl]triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734882
[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120733890
[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 120734945
[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(4-fluorophenyl)triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734530
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733613
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide (CID 120734604) is 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide is COc1ccccc1C1CNCCN1C(=O)c1cn(CC(=O)N(C)C)nn1.
What is the InChIKey of 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is QHERFFMEPYHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-22(2)17(25)12-23-11-14(20-21-23)18(26)24-9-8-19-10-15(24)13-6-4-5-7-16(13)27-3/h4-7,11,15,19H,8-10,12H2,1-3H3.
What are the key properties of 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 372.43 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 120734604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).