N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide

C17H22N4O3 — CID 90560084

IUPACN-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H22N4O3/c1-23-11-8-18-17(22)21-9-6-13(7-10-21)24-16-12-19-14-4-2-3-5-15(14)20-16/h2-5,12-13H,6-11H2,1H3,(H,18,22)
InChIKeyLIBZYIHKCLRILQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.83
Rot. Bonds5

About N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide

N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide (PubChem CID 90560084) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
PubChem CID90560084
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H22N4O3/c1-23-11-8-18-17(22)21-9-6-13(7-10-21)24-16-12-19-14-4-2-3-5-15(14)20-16/h2-5,12-13H,6-11H2,1H3,(H,18,22)
InChIKeyLIBZYIHKCLRILQ-UHFFFAOYSA-N
XLogP1.83
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide (CID 90560084) is N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide is COCCNC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide?
The InChIKey is LIBZYIHKCLRILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-11-8-18-17(22)21-9-6-13(7-10-21)24-16-12-19-14-4-2-3-5-15(14)20-16/h2-5,12-13H,6-11H2,1H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide?
N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 90560084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).