2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one

C18H24N4O2 — CID 75517382

IUPAC2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCOC(C)C(=O)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C18H24N4O2/c1-3-24-13(2)18(23)22-11-7-10-15(12-22)17-19-16(20-21-17)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,19,20,21)
InChIKeyXCHZZBRNAWCWNY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.60
Rot. Bonds5

About 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one

2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 75517382) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID75517382
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCOC(C)C(=O)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C18H24N4O2/c1-3-24-13(2)18(23)22-11-7-10-15(12-22)17-19-16(20-21-17)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,19,20,21)
InChIKeyXCHZZBRNAWCWNY-UHFFFAOYSA-N
XLogP2.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one 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-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one (CID 75517382) is 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one is CCOC(C)C(=O)N1CCCC(c2nc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XCHZZBRNAWCWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-24-13(2)18(23)22-11-7-10-15(12-22)17-19-16(20-21-17)14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one?
2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 75517382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).