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

C19H19FN4O2 — CID 1469814

IUPAC[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C19H19FN4O2/c1-26-16-5-2-13(3-6-16)19(25)23-10-8-15(9-11-23)24-18-7-4-14(20)12-17(18)21-22-24/h2-7,12,15H,8-11H2,1H3
InChIKeyDNOJMVJEBGUOIS-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.06
Rot. Bonds3

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

[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 1469814) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID1469814
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1
InChIInChI=1S/C19H19FN4O2/c1-26-16-5-2-13(3-6-16)19(25)23-10-8-15(9-11-23)24-18-7-4-14(20)12-17(18)21-22-24/h2-7,12,15H,8-11H2,1H3
InChIKeyDNOJMVJEBGUOIS-UHFFFAOYSA-N
XLogP3.06
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 1469814) is [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1.
What is the InChIKey of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DNOJMVJEBGUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-26-16-5-2-13(3-6-16)19(25)23-10-8-15(9-11-23)24-18-7-4-14(20)12-17(18)21-22-24/h2-7,12,15H,8-11H2,1H3.
What are the key properties of [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 354.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1469814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).