5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride

C13H19ClN4O — CID 67171133

IUPAC5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride
SMILESCl.O=C1NC(c2ccccc2)N(C2CCNCC2)N1
InChIInChI=1S/C13H18N4O.ClH/c18-13-15-12(10-4-2-1-3-5-10)17(16-13)11-6-8-14-9-7-11;/h1-5,11-12,14H,6-9H2,(H2,15,16,18);1H
InChIKeyWPWAAMSZOAMSLA-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.39
Rot. Bonds2

About 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride

5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride (PubChem CID 67171133) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride.

Molecular Properties

Compound Name5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride
PubChem CID67171133
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride
SMILESCl.O=C1NC(c2ccccc2)N(C2CCNCC2)N1
InChIInChI=1S/C13H18N4O.ClH/c18-13-15-12(10-4-2-1-3-5-10)17(16-13)11-6-8-14-9-7-11;/h1-5,11-12,14H,6-9H2,(H2,15,16,18);1H
InChIKeyWPWAAMSZOAMSLA-UHFFFAOYSA-N
XLogP1.39
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride 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 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride?
The IUPAC name of 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride (CID 67171133) is 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride.
What is the SMILES notation for 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride?
The canonical SMILES for 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride is Cl.O=C1NC(c2ccccc2)N(C2CCNCC2)N1.
What is the InChIKey of 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride?
The InChIKey is WPWAAMSZOAMSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.ClH/c18-13-15-12(10-4-2-1-3-5-10)17(16-13)11-6-8-14-9-7-11;/h1-5,11-12,14H,6-9H2,(H2,15,16,18);1H.
What are the key properties of 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride?
5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-piperidin-4-yl-1,2,4-triazolidin-3-one;hydrochloride is sourced from PubChem (CID 67171133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).