5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one

C15H18N4O2 — CID 137299296

IUPAC5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one
SMILESCC(=O)N1CCCC(c2nn(-c3ccccc3)c(=O)[nH]2)C1
InChIInChI=1S/C15H18N4O2/c1-11(20)18-9-5-6-12(10-18)14-16-15(21)19(17-14)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,17,21)
InChIKeyKEEGQISOVFLUDQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.29
Rot. Bonds2

About 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one

5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one (PubChem CID 137299296) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one
PubChem CID137299296
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one
SMILESCC(=O)N1CCCC(c2nn(-c3ccccc3)c(=O)[nH]2)C1
InChIInChI=1S/C15H18N4O2/c1-11(20)18-9-5-6-12(10-18)14-16-15(21)19(17-14)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,17,21)
InChIKeyKEEGQISOVFLUDQ-UHFFFAOYSA-N
XLogP1.29
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-N'-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)urea
CID 44420239
6-methyl-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,7H)-dione
CID 137647102
8-Acetyl-2-phenyl-1,2,4,8-tetraazaspiro[4.5]decan-3-one
CID 1511280
N-Methyl-2-{3-oxo-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-2-YL}-N-phenylacetamide
CID 110876303
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
N-benzyl-4-(1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 71793141
2-[3-(1-methanesulfonylpiperidin-4-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-phenylacetamide
CID 30864447
1-[3-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-phenylurea
CID 47075723
2-(3-methylbenzyl)-4-phenyl-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
CID 56712762
3-(1-acetylpiperidin-4-yl)-1-methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one
CID 71793114

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one (CID 137299296) is 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one is CC(=O)N1CCCC(c2nn(-c3ccccc3)c(=O)[nH]2)C1.
What is the InChIKey of 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one?
The InChIKey is KEEGQISOVFLUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)18-9-5-6-12(10-18)14-16-15(21)19(17-14)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,16,17,21).
What are the key properties of 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one?
5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one has a molecular weight of 286.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-3-yl)-2-phenyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137299296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).