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

C17H21N5O2 — CID 70779860

IUPAC1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCc1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1
InChIInChI=1S/C17H21N5O2/c1-2-14-20-21-15(24-14)11-22-9-7-17(8-10-22)16(23)18-12-5-3-4-6-13(12)19-17/h3-6,19H,2,7-11H2,1H3,(H,18,23)
InChIKeyZCSIFEPFYKGOKE-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.03
Rot. Bonds3

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

1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70779860) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70779860
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCCc1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1
InChIInChI=1S/C17H21N5O2/c1-2-14-20-21-15(24-14)11-22-9-7-17(8-10-22)16(23)18-12-5-3-4-6-13(12)19-17/h3-6,19H,2,7-11H2,1H3,(H,18,23)
InChIKeyZCSIFEPFYKGOKE-UHFFFAOYSA-N
XLogP2.03
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70779860) is 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CCc1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1.
What is the InChIKey of 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is ZCSIFEPFYKGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-14-20-21-15(24-14)11-22-9-7-17(8-10-22)16(23)18-12-5-3-4-6-13(12)19-17/h3-6,19H,2,7-11H2,1H3,(H,18,23).
What are the key properties of 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 327.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70779860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).