3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

C18H22N4O3 — CID 122164968

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCN(C(=O)Cn2cccc(-c3nc(C4CC4)no3)c2=O)C1
InChIInChI=1S/C18H22N4O3/c1-12-4-2-8-21(10-12)15(23)11-22-9-3-5-14(18(22)24)17-19-16(20-25-17)13-6-7-13/h3,5,9,12-13H,2,4,6-8,10-11H2,1H3
InChIKeyNTWCWYBHKNQKKT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.03
Rot. Bonds4

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 122164968) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID122164968
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESCC1CCCN(C(=O)Cn2cccc(-c3nc(C4CC4)no3)c2=O)C1
InChIInChI=1S/C18H22N4O3/c1-12-4-2-8-21(10-12)15(23)11-22-9-3-5-14(18(22)24)17-19-16(20-25-17)13-6-7-13/h3,5,9,12-13H,2,4,6-8,10-11H2,1H3
InChIKeyNTWCWYBHKNQKKT-UHFFFAOYSA-N
XLogP2.03
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 122164968) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is CC1CCCN(C(=O)Cn2cccc(-c3nc(C4CC4)no3)c2=O)C1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is NTWCWYBHKNQKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-4-2-8-21(10-12)15(23)11-22-9-3-5-14(18(22)24)17-19-16(20-25-17)13-6-7-13/h3,5,9,12-13H,2,4,6-8,10-11H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 122164968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).