1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C18H21N5O2 — CID 70719989

IUPAC1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2NC12CCN(Cc1nnc(C3CC3)o1)CC2
InChIInChI=1S/C18H21N5O2/c24-17-18(20-14-4-2-1-3-13(14)19-17)7-9-23(10-8-18)11-15-21-22-16(25-15)12-5-6-12/h1-4,12,20H,5-11H2,(H,19,24)
InChIKeyFSLXKLQBPQHIDU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.35
Rot. Bonds3

About 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70719989) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70719989
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2NC12CCN(Cc1nnc(C3CC3)o1)CC2
InChIInChI=1S/C18H21N5O2/c24-17-18(20-14-4-2-1-3-13(14)19-17)7-9-23(10-8-18)11-15-21-22-16(25-15)12-5-6-12/h1-4,12,20H,5-11H2,(H,19,24)
InChIKeyFSLXKLQBPQHIDU-UHFFFAOYSA-N
XLogP2.35
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70719989) is 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1Nc2ccccc2NC12CCN(Cc1nnc(C3CC3)o1)CC2.
What is the InChIKey of 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is FSLXKLQBPQHIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-18(20-14-4-2-1-3-13(14)19-17)7-9-23(10-8-18)11-15-21-22-16(25-15)12-5-6-12/h1-4,12,20H,5-11H2,(H,19,24).
What are the key properties of 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70719989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).