1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C19H25N5O2 — CID 70751368

IUPAC1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)Cc1nc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)no1
InChIInChI=1S/C19H25N5O2/c1-13(2)11-17-21-16(23-26-17)12-24-15-6-4-3-5-14(15)22-19(18(24)25)7-9-20-10-8-19/h3-6,13,20,22H,7-12H2,1-2H3
InChIKeyQVJJPSGYJLFEDM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.35
Rot. Bonds4

About 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70751368) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70751368
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESCC(C)Cc1nc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)no1
InChIInChI=1S/C19H25N5O2/c1-13(2)11-17-21-16(23-26-17)12-24-15-6-4-3-5-14(15)22-19(18(24)25)7-9-20-10-8-19/h3-6,13,20,22H,7-12H2,1-2H3
InChIKeyQVJJPSGYJLFEDM-UHFFFAOYSA-N
XLogP2.35
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70782918
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
1-[(4-methyl-1,3-thiazol-5-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154895737
1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154895878
1-[(4-pyrazol-1-ylphenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70721786
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70712830
1-(cyclobutylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70740820
1-(2-propoxyethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70728043
1-(oxan-2-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897227
N-methyl-4-[(2-oxospiro[4H-quinoxaline-3,4'-piperidine]-1-yl)methyl]benzamide;hydrochloride
CID 154897183
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
(5R)-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 36537561

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70751368) is 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is CC(C)Cc1nc(CN2C(=O)C3(CCNCC3)Nc3ccccc32)no1.
What is the InChIKey of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is QVJJPSGYJLFEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)11-17-21-16(23-26-17)12-24-15-6-4-3-5-14(15)22-19(18(24)25)7-9-20-10-8-19/h3-6,13,20,22H,7-12H2,1-2H3.
What are the key properties of 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70751368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).