methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate

C18H23N3O4 — CID 8754651

IUPACmethyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H23N3O4/c1-12(20-9-7-13(8-10-20)18(24)25-2)17(23)21-11-16(22)19-14-5-3-4-6-15(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyZDEZWZKIKMQDAF-GFCCVEGCSA-N
MW345.40 g/mol
LogP1.25
Rot. Bonds3

About methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate

methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate (PubChem CID 8754651) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
PubChem CID8754651
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C18H23N3O4/c1-12(20-9-7-13(8-10-20)18(24)25-2)17(23)21-11-16(22)19-14-5-3-4-6-15(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)/t12-/m1/s1
InChIKeyZDEZWZKIKMQDAF-GFCCVEGCSA-N
XLogP1.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate (CID 8754651) is methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate?
The InChIKey is ZDEZWZKIKMQDAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(20-9-7-13(8-10-20)18(24)25-2)17(23)21-11-16(22)19-14-5-3-4-6-15(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,19,22)/t12-/m1/s1.
What are the key properties of methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate?
methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 8754651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).