[2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C16H20FN5O2 — CID 119066126

IUPAC[2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESNCCOc1ccc(F)cc1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C16H20FN5O2/c17-12-1-2-15(24-8-5-18)14(9-12)16(23)21-6-3-13(4-7-21)22-10-19-20-11-22/h1-2,9-11,13H,3-8,18H2
InChIKeyLXXDPLZMIWXUCM-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.23
Rot. Bonds5

About [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

[2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 119066126) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID119066126
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Name[2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESNCCOc1ccc(F)cc1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C16H20FN5O2/c17-12-1-2-15(24-8-5-18)14(9-12)16(23)21-6-3-13(4-7-21)22-10-19-20-11-22/h1-2,9-11,13H,3-8,18H2
InChIKeyLXXDPLZMIWXUCM-UHFFFAOYSA-N
XLogP1.23
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)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 [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 119066126) is [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is NCCOc1ccc(F)cc1C(=O)N1CCC(n2cnnc2)CC1.
What is the InChIKey of [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is LXXDPLZMIWXUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c17-12-1-2-15(24-8-5-18)14(9-12)16(23)21-6-3-13(4-7-21)22-10-19-20-11-22/h1-2,9-11,13H,3-8,18H2.
What are the key properties of [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
[2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 333.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-5-fluorophenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119066126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).