1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

C16H20N6O2 — CID 72935222

IUPAC1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C(CN1CCNC1=O)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H20N6O2/c23-14(11-21-10-6-17-16(21)24)20-8-4-12(5-9-20)15-19-18-13-3-1-2-7-22(13)15/h1-3,7,12H,4-6,8-11H2,(H,17,24)
InChIKeyATORCEBMNKHRCI-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.46
Rot. Bonds3

About 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 72935222) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID72935222
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C(CN1CCNC1=O)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H20N6O2/c23-14(11-21-10-6-17-16(21)24)20-8-4-12(5-9-20)15-19-18-13-3-1-2-7-22(13)15/h1-3,7,12H,4-6,8-11H2,(H,17,24)
InChIKeyATORCEBMNKHRCI-UHFFFAOYSA-N
XLogP0.46
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
2-(4-chloroindol-1-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 56762563
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
2-(2-chlorophenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 31742653
3-(2-methylpyrazol-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 118790726
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
4-thiophen-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 31742818
2-(3-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 134813379
(1-phenylcyclopropyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33447221

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 72935222) is 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C(CN1CCNC1=O)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is ATORCEBMNKHRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-14(11-21-10-6-17-16(21)24)20-8-4-12(5-9-20)15-19-18-13-3-1-2-7-22(13)15/h1-3,7,12H,4-6,8-11H2,(H,17,24).
What are the key properties of 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 328.38 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 72935222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).