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

C17H20N4O2 — CID 137299370

IUPAC5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
SMILESO=C(C1CC1)N1CCCC(c2nn(-c3ccccc3)c(=O)[nH]2)C1
InChIInChI=1S/C17H20N4O2/c22-16(12-8-9-12)20-10-4-5-13(11-20)15-18-17(23)21(19-15)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,18,19,23)
InChIKeyGAZJZAJMTLBESZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.68
Rot. Bonds3

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

5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one (PubChem CID 137299370) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
PubChem CID137299370
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
SMILESO=C(C1CC1)N1CCCC(c2nn(-c3ccccc3)c(=O)[nH]2)C1
InChIInChI=1S/C17H20N4O2/c22-16(12-8-9-12)20-10-4-5-13(11-20)15-18-17(23)21(19-15)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,18,19,23)
InChIKeyGAZJZAJMTLBESZ-UHFFFAOYSA-N
XLogP1.68
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299324
4-[1-(4-fluorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]-N-phenylpiperidine-1-carboxamide
CID 137299344
5-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one
CID 137299492
3-(1-acetylpiperidin-4-yl)-1-methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
CID 71793114
3-(1-butyrylpiperidin-4-yl)-1-methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
CID 71793115
2-(3-cyclopropyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 71793663
N-cyclopropyl-2-[4-(1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793780
N-methyl-2-(4-(1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)acetamide
CID 71793786
2-[4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 73167728
2-{3-Oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-2-YL}-N-phenylacetamide
CID 91906312
3-(4-Ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-YL)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 124072038
7-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 134794157

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one (CID 137299370) is 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one is O=C(C1CC1)N1CCCC(c2nn(-c3ccccc3)c(=O)[nH]2)C1.
What is the InChIKey of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one?
The InChIKey is GAZJZAJMTLBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(12-8-9-12)20-10-4-5-13(11-20)15-18-17(23)21(19-15)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,18,19,23).
What are the key properties of 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one?
5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one has a molecular weight of 312.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-phenyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137299370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).