3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one

C19H23N5O2 — CID 72854260

IUPAC3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESCN1CCC(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-24-10-8-13(9-11-24)12-17-22-18(26-23-17)7-6-16-19(25)21-15-5-3-2-4-14(15)20-16/h2-5,13H,6-12H2,1H3,(H,21,25)
InChIKeyJQWASMQVQWYCJG-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.98
Rot. Bonds5

About 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one

3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one (PubChem CID 72854260) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
PubChem CID72854260
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESCN1CCC(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1
InChIInChI=1S/C19H23N5O2/c1-24-10-8-13(9-11-24)12-17-22-18(26-23-17)7-6-16-19(25)21-15-5-3-2-4-14(15)20-16/h2-5,13H,6-12H2,1H3,(H,21,25)
InChIKeyJQWASMQVQWYCJG-UHFFFAOYSA-N
XLogP1.98
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 3238119
N-(3-fluorophenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 45816953
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 45904371
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 53562482
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53574019
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 53591060
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53603769
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 53613515
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 53616372
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-phenylpiperazine-1-carboxamide
CID 53627208
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56787579
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 56791033

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one (CID 72854260) is 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one is CN1CCC(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1.
What is the InChIKey of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The InChIKey is JQWASMQVQWYCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-24-10-8-13(9-11-24)12-17-22-18(26-23-17)7-6-16-19(25)21-15-5-3-2-4-14(15)20-16/h2-5,13H,6-12H2,1H3,(H,21,25).
What are the key properties of 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 72854260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).