ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate

C18H20N2O4 — CID 42910473

IUPACethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)14-10-16(21)19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,19,21)
InChIKeyJZOHJDGMNAKYKZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.94
Rot. Bonds3

About ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate (PubChem CID 42910473) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
PubChem CID42910473
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)14-10-16(21)19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,19,21)
InChIKeyJZOHJDGMNAKYKZ-UHFFFAOYSA-N
XLogP1.94
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
ethyl (3R)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 94117544
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
ethyl (3S)-1-(1H-indole-2-carbonyl)piperidine-3-carboxylate
CID 29206160
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
ethyl (3R)-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-3-carboxylate
CID 115538799
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate (CID 42910473) is ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is JZOHJDGMNAKYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-24-18(23)12-6-5-9-20(11-12)17(22)14-10-16(21)19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,19,21).
What are the key properties of ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 42910473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).