[4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

C18H17FN4O — CID 1469544

IUPAC[4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C18H17FN4O/c19-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)20-21-23/h1-8,15H,9-12H2
InChIKeyZEYJAVMRPXLYLY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.05
Rot. Bonds2

About [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 1469544) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID1469544
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C18H17FN4O/c19-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)20-21-23/h1-8,15H,9-12H2
InChIKeyZEYJAVMRPXLYLY-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 1469544) is [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZEYJAVMRPXLYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)20-21-23/h1-8,15H,9-12H2.
What are the key properties of [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 324.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 1469544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).