(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone

C19H19FN4O2 — CID 163260913

IUPAC(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone
SMILESCOc1ccc(-n2nnc3cc(C(=O)N4CCC(F)CC4)ccc32)cc1
InChIInChI=1S/C19H19FN4O2/c1-26-16-5-3-15(4-6-16)24-18-7-2-13(12-17(18)21-22-24)19(25)23-10-8-14(20)9-11-23/h2-7,12,14H,8-11H2,1H3
InChIKeyBTWNGMBYJKNRTM-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.00
Rot. Bonds3

About (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone

(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone (PubChem CID 163260913) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone
PubChem CID163260913
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone
SMILESCOc1ccc(-n2nnc3cc(C(=O)N4CCC(F)CC4)ccc32)cc1
InChIInChI=1S/C19H19FN4O2/c1-26-16-5-3-15(4-6-16)24-18-7-2-13(12-17(18)21-22-24)19(25)23-10-8-14(20)9-11-23/h2-7,12,14H,8-11H2,1H3
InChIKeyBTWNGMBYJKNRTM-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone (CID 163260913) is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone is COc1ccc(-n2nnc3cc(C(=O)N4CCC(F)CC4)ccc32)cc1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone?
The InChIKey is BTWNGMBYJKNRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-26-16-5-3-15(4-6-16)24-18-7-2-13(12-17(18)21-22-24)19(25)23-10-8-14(20)9-11-23/h2-7,12,14H,8-11H2,1H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone has a molecular weight of 354.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)benzotriazol-5-yl]methanone is sourced from PubChem (CID 163260913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).