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

C17H21N5O3 — CID 70774467

IUPAC1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCOCc1nc(CN2CCC3(CC2)Nc2ccccc2NC3=O)no1
InChIInChI=1S/C17H21N5O3/c1-24-11-15-19-14(21-25-15)10-22-8-6-17(7-9-22)16(23)18-12-4-2-3-5-13(12)20-17/h2-5,20H,6-11H2,1H3,(H,18,23)
InChIKeyLFWHRDDXQATHKH-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.61
Rot. Bonds4

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

1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70774467) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70774467
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCOCc1nc(CN2CCC3(CC2)Nc2ccccc2NC3=O)no1
InChIInChI=1S/C17H21N5O3/c1-24-11-15-19-14(21-25-15)10-22-8-6-17(7-9-22)16(23)18-12-4-2-3-5-13(12)20-17/h2-5,20H,6-11H2,1H3,(H,18,23)
InChIKeyLFWHRDDXQATHKH-UHFFFAOYSA-N
XLogP1.61
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70707006
1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 110019482
1'-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70719989
1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70711248
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 95715924
1'-[(2-butyl-1H-imidazol-5-yl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70748231
(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
CID 70715898
(3S)-8-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97200009
1'-[(4-aminocyclohexyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70731941
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70751368
1'-(1-hydroxypropan-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774354

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70774467) is 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is COCc1nc(CN2CCC3(CC2)Nc2ccccc2NC3=O)no1.
What is the InChIKey of 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is LFWHRDDXQATHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-11-15-19-14(21-25-15)10-22-8-6-17(7-9-22)16(23)18-12-4-2-3-5-13(12)20-17/h2-5,20H,6-11H2,1H3,(H,18,23).
What are the key properties of 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70774467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).