[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone

C19H19FN4O — CID 645649

IUPAC[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C19H19FN4O/c1-13-3-2-4-14(11-13)19(25)23-9-7-16(8-10-23)24-18-6-5-15(20)12-17(18)21-22-24/h2-6,11-12,16H,7-10H2,1H3
InChIKeyFJVHMKAFGUGLLO-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.36
Rot. Bonds2

About [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone

[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 645649) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID645649
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C19H19FN4O/c1-13-3-2-4-14(11-13)19(25)23-9-7-16(8-10-23)24-18-6-5-15(20)12-17(18)21-22-24/h2-6,11-12,16H,7-10H2,1H3
InChIKeyFJVHMKAFGUGLLO-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone (CID 645649) is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1.
What is the InChIKey of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is FJVHMKAFGUGLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-3-2-4-14(11-13)19(25)23-9-7-16(8-10-23)24-18-6-5-15(20)12-17(18)21-22-24/h2-6,11-12,16H,7-10H2,1H3.
What are the key properties of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone?
[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 338.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 645649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).