N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C16H20FN5O3 — CID 136556101

IUPACN-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)N1CCCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C16H20FN5O3/c1-2-25-13-9-10(17)6-7-11(13)18-16(24)22-8-4-3-5-12(22)14-19-15(23)21-20-14/h6-7,9,12H,2-5,8H2,1H3,(H,18,24)(H2,19,20,21,23)
InChIKeyFJMOFCYSCBUULI-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.39
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 136556101) has the molecular formula C16H20FN5O3 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID136556101
Molecular FormulaC16H20FN5O3
Molecular Weight349.37 g/mol
Exact Mass349.16
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)N1CCCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C16H20FN5O3/c1-2-25-13-9-10(17)6-7-11(13)18-16(24)22-8-4-3-5-12(22)14-19-15(23)21-20-14/h6-7,9,12H,2-5,8H2,1H3,(H,18,24)(H2,19,20,21,23)
InChIKeyFJMOFCYSCBUULI-UHFFFAOYSA-N
XLogP2.39
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide 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 N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 136556101) is N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCOc1cc(F)ccc1NC(=O)N1CCCCC1c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is FJMOFCYSCBUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O3/c1-2-25-13-9-10(17)6-7-11(13)18-16(24)22-8-4-3-5-12(22)14-19-15(23)21-20-14/h6-7,9,12H,2-5,8H2,1H3,(H,18,24)(H2,19,20,21,23).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136556101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).