N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide

C24H28N4O3 — CID 46367968

IUPACN-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3OCC)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-3-30-19-11-9-18(10-12-19)25-23(29)17-13-15-28(16-14-17)22-24(31-4-2)27-21-8-6-5-7-20(21)26-22/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29)
InChIKeyCYSKMIFWSGJKLG-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.28
Rot. Bonds7

About N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 46367968) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
PubChem CID46367968
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3OCC)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-3-30-19-11-9-18(10-12-19)25-23(29)17-13-15-28(16-14-17)22-24(31-4-2)27-21-8-6-5-7-20(21)26-22/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29)
InChIKeyCYSKMIFWSGJKLG-UHFFFAOYSA-N
XLogP4.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-carbamoylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367975
1-(3-ethoxyquinoxalin-2-yl)-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 46367981
N-(2-fluorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-4-carboxamide
CID 46367999
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3S)-N-(4-chlorophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009829
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514077
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide (CID 46367968) is N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(c3nc4ccccc4nc3OCC)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
The InChIKey is CYSKMIFWSGJKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-30-19-11-9-18(10-12-19)25-23(29)17-13-15-28(16-14-17)22-24(31-4-2)27-21-8-6-5-7-20(21)26-22/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29).
What are the key properties of N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46367968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).