benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate

C23H24N2O6 — CID 58317082

IUPACbenzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate
SMILESO=C1Cc2oc(=O)cc(CCC3CCN(C(=O)OCc4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C23H24N2O6/c26-19-13-18-21(22(28)24-19)17(12-20(27)31-18)7-6-15-8-10-25(11-9-15)23(29)30-14-16-4-2-1-3-5-16/h1-5,12,15H,6-11,13-14H2,(H,24,26,28)
InChIKeyGPYZLPXSGPZBND-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.43
Rot. Bonds5

About benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate

benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate (PubChem CID 58317082) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate
PubChem CID58317082
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Namebenzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate
SMILESO=C1Cc2oc(=O)cc(CCC3CCN(C(=O)OCc4ccccc4)CC3)c2C(=O)N1
InChIInChI=1S/C23H24N2O6/c26-19-13-18-21(22(28)24-19)17(12-20(27)31-18)7-6-15-8-10-25(11-9-15)23(29)30-14-16-4-2-1-3-5-16/h1-5,12,15H,6-11,13-14H2,(H,24,26,28)
InChIKeyGPYZLPXSGPZBND-UHFFFAOYSA-N
XLogP2.43
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

benzyl 3-[(E)-7-methoxy-7-oxohept-5-enyl]-2-oxopiperidine-1-carboxylate
CID 146163469
benzyl 1,4-dicyclohexyl-3-oxo-6,8-dihydro-5H-pyrano[3,4-c]pyridine-7-carboxylate
CID 146168806
4-butyl-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317137
4-(2-cyclobutylethyl)-3-phenyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317181
4-[3-[1-(phenylmethoxymethyl)cyclopropyl]propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317188
4-(3-phenylmethoxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317198
benzyl 3-[(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)methyl]pyrrolidine-1-carboxylate
CID 58317204
benzyl N-[3-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)propyl]carbamate
CID 58317247
benzyl 4-[2-(2,4,7-trioxo-1H-pyrano[2,3-d]pyrimidin-5-yl)ethyl]piperidine-1-carboxylate
CID 59304548
Benzyl 3-(2,4-dioxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl)propanoate
CID 59311938
Benzyl 4-(2-oxo-1,2-dihydropyridin-4-yloxy)piperidine-1-carboxylate
CID 67366192
Benzyl 4-(5-methyl-2-oxo-1,2-dihydropyridin-4-yloxy)piperidine-1-carboxylate
CID 67367290

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate (CID 58317082) is benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate is O=C1Cc2oc(=O)cc(CCC3CCN(C(=O)OCc4ccccc4)CC3)c2C(=O)N1.
What is the InChIKey of benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is GPYZLPXSGPZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c26-19-13-18-21(22(28)24-19)17(12-20(27)31-18)7-6-15-8-10-25(11-9-15)23(29)30-14-16-4-2-1-3-5-16/h1-5,12,15H,6-11,13-14H2,(H,24,26,28).
What are the key properties of benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate?
benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 424.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(2,5,7-trioxo-8H-pyrano[3,2-c]pyridin-4-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58317082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).