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

C18H23N5O2 — CID 70707006

IUPAC1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)c1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1
InChIInChI=1S/C18H23N5O2/c1-12(2)16-22-21-15(25-16)11-23-9-7-18(8-10-23)17(24)19-13-5-3-4-6-14(13)20-18/h3-6,12,20H,7-11H2,1-2H3,(H,19,24)
InChIKeyPMZXGFRQLFCAKF-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.59
Rot. Bonds3

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

1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70707006) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70707006
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)c1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1
InChIInChI=1S/C18H23N5O2/c1-12(2)16-22-21-15(25-16)11-23-9-7-18(8-10-23)17(24)19-13-5-3-4-6-14(13)20-18/h3-6,12,20H,7-11H2,1-2H3,(H,19,24)
InChIKeyPMZXGFRQLFCAKF-UHFFFAOYSA-N
XLogP2.59
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70707006) is 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CC(C)c1nnc(CN2CCC3(CC2)Nc2ccccc2NC3=O)o1.
What is the InChIKey of 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is PMZXGFRQLFCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(2)16-22-21-15(25-16)11-23-9-7-18(8-10-23)17(24)19-13-5-3-4-6-14(13)20-18/h3-6,12,20H,7-11H2,1-2H3,(H,19,24).
What are the key properties of 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 341.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70707006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).