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

C18H22N6O3 — CID 90642367

IUPAC1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCCC(Cc3nc(-c4cnccn4)no3)C2)CC1=O
InChIInChI=1S/C18H22N6O3/c1-23-11-13(8-16(23)25)18(26)24-6-2-3-12(10-24)7-15-21-17(22-27-15)14-9-19-4-5-20-14/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3
InChIKeyXSYIFUUHYUHTSK-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.79
Rot. Bonds4

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

1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90642367) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID90642367
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCCC(Cc3nc(-c4cnccn4)no3)C2)CC1=O
InChIInChI=1S/C18H22N6O3/c1-23-11-13(8-16(23)25)18(26)24-6-2-3-12(10-24)7-15-21-17(22-27-15)14-9-19-4-5-20-14/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3
InChIKeyXSYIFUUHYUHTSK-UHFFFAOYSA-N
XLogP0.79
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 90642367) is 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is CN1CC(C(=O)N2CCCC(Cc3nc(-c4cnccn4)no3)C2)CC1=O.
What is the InChIKey of 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XSYIFUUHYUHTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-23-11-13(8-16(23)25)18(26)24-6-2-3-12(10-24)7-15-21-17(22-27-15)14-9-19-4-5-20-14/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3.
What are the key properties of 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 370.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90642367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).