(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C21H22FN5O2 — CID 91938600

IUPAC(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nnn1Cc1ccccc1
InChIInChI=1S/C21H22FN5O2/c1-29-21-19(23-24-27(21)15-16-5-3-2-4-6-16)20(28)26-13-11-25(12-14-26)18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3
InChIKeyRJQQLVVZDAGLGA-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.44
Rot. Bonds5

About (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 91938600) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID91938600
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCOc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nnn1Cc1ccccc1
InChIInChI=1S/C21H22FN5O2/c1-29-21-19(23-24-27(21)15-16-5-3-2-4-6-16)20(28)26-13-11-25(12-14-26)18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3
InChIKeyRJQQLVVZDAGLGA-UHFFFAOYSA-N
XLogP2.44
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
CID 91938610
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 91938550
[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 8967221
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 91938542
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
CID 91938588
[1-[(3-chlorophenyl)methyl]-5-pyrrol-1-yltriazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50819056
[1-(3-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46857896
(4-benzylthieno[3,2-b]pyrrol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 3225159
(1-benzyl-5-chlorotriazol-4-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 97458753

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 91938600) is (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is COc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)nnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is RJQQLVVZDAGLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-29-21-19(23-24-27(21)15-16-5-3-2-4-6-16)20(28)26-13-11-25(12-14-26)18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3.
What are the key properties of (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91938600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).