ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate

C20H21NO7 — CID 2997943

IUPACethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C1
InChIInChI=1S/C20H21NO7/c1-2-26-19(24)13-6-5-9-21(11-13)18(23)12-27-20(25)17-10-15(22)14-7-3-4-8-16(14)28-17/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3
InChIKeyITOYWXINNVLGNB-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.75
Rot. Bonds5

About ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate

ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate (PubChem CID 2997943) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate
PubChem CID2997943
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Nameethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C1
InChIInChI=1S/C20H21NO7/c1-2-26-19(24)13-6-5-9-21(11-13)18(23)12-27-20(25)17-10-15(22)14-7-3-4-8-16(14)28-17/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3
InChIKeyITOYWXINNVLGNB-UHFFFAOYSA-N
XLogP1.75
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate (CID 2997943) is ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)C1.
What is the InChIKey of ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate?
The InChIKey is ITOYWXINNVLGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-2-26-19(24)13-6-5-9-21(11-13)18(23)12-27-20(25)17-10-15(22)14-7-3-4-8-16(14)28-17/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3.
What are the key properties of ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate?
ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate has a molecular weight of 387.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-oxochromene-2-carbonyl)oxyacetyl]piperidine-3-carboxylate is sourced from PubChem (CID 2997943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).