[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C21H22FN5O2 — CID 45171754

IUPAC[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2F)nn1)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C21H22FN5O2/c22-19-9-2-1-6-16(19)12-27-14-20(24-25-27)21(28)26-11-5-8-18(13-26)29-15-17-7-3-4-10-23-17/h1-4,6-7,9-10,14,18H,5,8,11-13,15H2
InChIKeyMQXUACXIKHOIJL-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.68
Rot. Bonds6

About [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 45171754) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID45171754
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn(Cc2ccccc2F)nn1)N1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C21H22FN5O2/c22-19-9-2-1-6-16(19)12-27-14-20(24-25-27)21(28)26-11-5-8-18(13-26)29-15-17-7-3-4-10-23-17/h1-4,6-7,9-10,14,18H,5,8,11-13,15H2
InChIKeyMQXUACXIKHOIJL-UHFFFAOYSA-N
XLogP2.68
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 45171754) is [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cn(Cc2ccccc2F)nn1)N1CCCC(OCc2ccccn2)C1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is MQXUACXIKHOIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-19-9-2-1-6-16(19)12-27-14-20(24-25-27)21(28)26-11-5-8-18(13-26)29-15-17-7-3-4-10-23-17/h1-4,6-7,9-10,14,18H,5,8,11-13,15H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]triazol-4-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 45171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).