2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C19H26N4O2 — CID 53192532

IUPAC2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(c3nncn3CC)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-22-14-20-21-19(22)16-9-11-23(12-10-16)18(24)13-15-5-7-17(8-6-15)25-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3
InChIKeyPGOZZDPGKGAFOP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 53192532) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID53192532
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(c3nncn3CC)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-22-14-20-21-19(22)16-9-11-23(12-10-16)18(24)13-15-5-7-17(8-6-15)25-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3
InChIKeyPGOZZDPGKGAFOP-UHFFFAOYSA-N
XLogP2.65
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 53192532) is 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCC(c3nncn3CC)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is PGOZZDPGKGAFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-22-14-20-21-19(22)16-9-11-23(12-10-16)18(24)13-15-5-7-17(8-6-15)25-4-2/h5-8,14,16H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).