5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one

C12H13N5O3 — CID 118779827

IUPAC5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C12H13N5O3/c18-10-6-13-9(5-14-10)12(19)17-3-1-8(2-4-17)11-15-7-20-16-11/h5-8H,1-4H2,(H,14,18)
InChIKeySXHJLSWUSIBRTP-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.17
Rot. Bonds2

About 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one

5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one (PubChem CID 118779827) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
PubChem CID118779827
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C12H13N5O3/c18-10-6-13-9(5-14-10)12(19)17-3-1-8(2-4-17)11-15-7-20-16-11/h5-8H,1-4H2,(H,14,18)
InChIKeySXHJLSWUSIBRTP-UHFFFAOYSA-N
XLogP0.17
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019587
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118780350
(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 126430247
2H-benzotriazol-5-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118789435
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
5-[4-(oxan-4-yl)piperazine-1-carbonyl]-1H-pyrazin-2-one
CID 91796344
3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 118767734

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one (CID 118779827) is 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCC(c2ncon2)CC1.
What is the InChIKey of 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
The InChIKey is SXHJLSWUSIBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-10-6-13-9(5-14-10)12(19)17-3-1-8(2-4-17)11-15-7-20-16-11/h5-8H,1-4H2,(H,14,18).
What are the key properties of 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one?
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one has a molecular weight of 275.27 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 118779827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).