2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one

C14H19N5O3 — CID 166269655

IUPAC2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one
SMILESCCN1N=C(C(=O)N2CCC(Cc3ncon3)CC2)CC1=O
InChIInChI=1S/C14H19N5O3/c1-2-19-13(20)8-11(16-19)14(21)18-5-3-10(4-6-18)7-12-15-9-22-17-12/h9-10H,2-8H2,1H3
InChIKeyPMAAIDYWGIRICK-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.46
Rot. Bonds4

About 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one

2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one (PubChem CID 166269655) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one
PubChem CID166269655
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one
SMILESCCN1N=C(C(=O)N2CCC(Cc3ncon3)CC2)CC1=O
InChIInChI=1S/C14H19N5O3/c1-2-19-13(20)8-11(16-19)14(21)18-5-3-10(4-6-18)7-12-15-9-22-17-12/h9-10H,2-8H2,1H3
InChIKeyPMAAIDYWGIRICK-UHFFFAOYSA-N
XLogP0.46
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 136561544
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106404747
2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 90495112
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methanamine
CID 63249054
1-(2-ethoxyacetyl)-N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 118764200
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72858587
2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 91791625
2-(2-ethylimidazol-1-yl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 91834957
3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one
CID 106402196
6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862353
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 91767952
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one?
The IUPAC name of 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one (CID 166269655) is 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one is CCN1N=C(C(=O)N2CCC(Cc3ncon3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one?
The InChIKey is PMAAIDYWGIRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-2-19-13(20)8-11(16-19)14(21)18-5-3-10(4-6-18)7-12-15-9-22-17-12/h9-10H,2-8H2,1H3.
What are the key properties of 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one?
2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one has a molecular weight of 305.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one is sourced from PubChem (CID 166269655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).