(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone

C22H25N5O2 — CID 57403942

IUPAC(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
SMILESCOc1ccc(Cn2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-20-9-7-19(8-10-20)16-27-17-21(23-24-27)22(28)26-13-11-25(12-14-26)15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
InChIKeyBLJDDKBJKCWAQN-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.29
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone

(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone (PubChem CID 57403942) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
PubChem CID57403942
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
SMILESCOc1ccc(Cn2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C22H25N5O2/c1-29-20-9-7-19(8-10-20)16-27-17-21(23-24-27)22(28)26-13-11-25(12-14-26)15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
InChIKeyBLJDDKBJKCWAQN-UHFFFAOYSA-N
XLogP2.29
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone with MolForge

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Related Compounds

1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903514
2-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39487776
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 56894930
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-quinolin-2-ylmethanone
CID 30953204
N,1-dibenzyl-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 55512888
3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 19498459

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone (CID 57403942) is (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone is COc1ccc(Cn2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)cc1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
The InChIKey is BLJDDKBJKCWAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-20-9-7-19(8-10-20)16-27-17-21(23-24-27)22(28)26-13-11-25(12-14-26)15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 57403942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).