methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate

C17H18N2O4 — CID 2412045

IUPACmethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H18N2O4/c1-23-17(22)11-6-8-19(9-7-11)16(21)13-10-15(20)18-14-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H,18,20)
InChIKeyCUQXDMCTMXMIAS-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.55
Rot. Bonds2

About methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate

methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate (PubChem CID 2412045) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate
PubChem CID2412045
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C17H18N2O4/c1-23-17(22)11-6-8-19(9-7-11)16(21)13-10-15(20)18-14-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H,18,20)
InChIKeyCUQXDMCTMXMIAS-UHFFFAOYSA-N
XLogP1.55
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate (CID 2412045) is methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is CUQXDMCTMXMIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-23-17(22)11-6-8-19(9-7-11)16(21)13-10-15(20)18-14-5-3-2-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H,18,20).
What are the key properties of methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 2412045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).