1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone

C26H31N3O5 — CID 162264693

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone
SMILESCOCCOc1cccc(-c2ccc(OC)c3nc(CC(=O)N4CCC(C)(O)CC4)cnc23)c1
InChIInChI=1S/C26H31N3O5/c1-26(31)9-11-29(12-10-26)23(30)16-19-17-27-24-21(7-8-22(33-3)25(24)28-19)18-5-4-6-20(15-18)34-14-13-32-2/h4-8,15,17,31H,9-14,16H2,1-3H3
InChIKeyZZSVUXKMDIYVOG-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.25
Rot. Bonds8

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone (PubChem CID 162264693) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone
PubChem CID162264693
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone
SMILESCOCCOc1cccc(-c2ccc(OC)c3nc(CC(=O)N4CCC(C)(O)CC4)cnc23)c1
InChIInChI=1S/C26H31N3O5/c1-26(31)9-11-29(12-10-26)23(30)16-19-17-27-24-21(7-8-22(33-3)25(24)28-19)18-5-4-6-20(15-18)34-14-13-32-2/h4-8,15,17,31H,9-14,16H2,1-3H3
InChIKeyZZSVUXKMDIYVOG-UHFFFAOYSA-N
XLogP3.25
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 137532637
CID 137532637
CID 134148445
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CID 134150578
CID 134150578
CID 149396423
CID 149396423
CID 137639043
CID 137639043
CID 145968126
CID 145968126
CID 145969687
CID 145969687
CID 59392642
CID 59392642
CID 59392845
CID 59392845
CID 151235609
CID 151235609
CID 157860407
CID 157860407
CID 157904019
CID 157904019

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone (CID 162264693) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone is COCCOc1cccc(-c2ccc(OC)c3nc(CC(=O)N4CCC(C)(O)CC4)cnc23)c1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone?
The InChIKey is ZZSVUXKMDIYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-26(31)9-11-29(12-10-26)23(30)16-19-17-27-24-21(7-8-22(33-3)25(24)28-19)18-5-4-6-20(15-18)34-14-13-32-2/h4-8,15,17,31H,9-14,16H2,1-3H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone has a molecular weight of 465.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-[8-methoxy-5-[3-(2-methoxyethoxy)phenyl]quinoxalin-2-yl]ethanone is sourced from PubChem (CID 162264693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).