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

C20H21N5O2 — CID 46547494

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H21N5O2/c1-27-19-10-6-5-9-18(19)23-11-13-24(14-12-23)20(26)17-15-25(22-21-17)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyHPCPBZMDXMLXTF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.24
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone (PubChem CID 46547494) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
PubChem CID46547494
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H21N5O2/c1-27-19-10-6-5-9-18(19)23-11-13-24(14-12-23)20(26)17-15-25(22-21-17)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyHPCPBZMDXMLXTF-UHFFFAOYSA-N
XLogP2.24
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16594388
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
CID 91954902
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91959859
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone (CID 46547494) is [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone?
The InChIKey is HPCPBZMDXMLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-19-10-6-5-9-18(19)23-11-13-24(14-12-23)20(26)17-15-25(22-21-17)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 46547494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).