ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate

C19H23N3O5 — CID 46356947

IUPACethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2c(=O)c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C19H23N3O5/c1-3-27-19(26)13-8-10-21(11-9-13)16(23)12-22-15-7-5-4-6-14(15)20(2)17(24)18(22)25/h4-7,13H,3,8-12H2,1-2H3
InChIKeyOKJJHWOITJCYEM-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.50
Rot. Bonds4

About ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 46356947) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID46356947
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2c(=O)c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C19H23N3O5/c1-3-27-19(26)13-8-10-21(11-9-13)16(23)12-22-15-7-5-4-6-14(15)20(2)17(24)18(22)25/h4-7,13H,3,8-12H2,1-2H3
InChIKeyOKJJHWOITJCYEM-UHFFFAOYSA-N
XLogP0.50
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
CID 46356950
ethyl 1-[2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetyl]piperidine-4-carboxylate
CID 51046827
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 16587229
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate
CID 122246383
ethyl 1-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 5221721
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
ethyl 1-[2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51368784
ethyl 1-[2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]acetyl]piperidine-4-carboxylate
CID 83282441
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 86982347
ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate (CID 46356947) is ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2c(=O)c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is OKJJHWOITJCYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-27-19(26)13-8-10-21(11-9-13)16(23)12-22-15-7-5-4-6-14(15)20(2)17(24)18(22)25/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 46356947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).