[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate

C18H21N3O3 — CID 23831601

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C18H21N3O3/c1-12-8-13(2)10-21(9-12)16(22)11-24-18(23)14-4-3-5-15-17(14)20-7-6-19-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyLLDCSBZQCVJWHA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.29
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate (PubChem CID 23831601) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate
PubChem CID23831601
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C18H21N3O3/c1-12-8-13(2)10-21(9-12)16(22)11-24-18(23)14-4-3-5-15-17(14)20-7-6-19-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyLLDCSBZQCVJWHA-UHFFFAOYSA-N
XLogP2.29
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzoylbenzoate
CID 7470676
[2-oxo-2-(5,7,7-trimethyl-2-azabicyclo[3.2.1]octan-2-yl)ethyl] quinoxaline-5-carboxylate
CID 23831656
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515943
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515940
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2429703
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522249
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434179
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434178
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780545
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780546
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7853325
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2430465

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate (CID 23831601) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate is CC1CC(C)CN(C(=O)COC(=O)c2cccc3nccnc23)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate?
The InChIKey is LLDCSBZQCVJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-8-13(2)10-21(9-12)16(22)11-24-18(23)14-4-3-5-15-17(14)20-7-6-19-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23831601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).