ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate

C20H23NO6 — CID 1109013

IUPACethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C20H23NO6/c1-3-25-20(24)14-6-8-21(9-7-14)18(22)12-26-15-4-5-16-13(2)10-19(23)27-17(16)11-15/h4-5,10-11,14H,3,6-9,12H2,1-2H3
InChIKeyXXTGSLWRMRGBJS-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.28
Rot. Bonds5

About ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 1109013) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate
PubChem CID1109013
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Nameethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C20H23NO6/c1-3-25-20(24)14-6-8-21(9-7-14)18(22)12-26-15-4-5-16-13(2)10-19(23)27-17(16)11-15/h4-5,10-11,14H,3,6-9,12H2,1-2H3
InChIKeyXXTGSLWRMRGBJS-UHFFFAOYSA-N
XLogP2.28
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate (CID 1109013) is ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1.
What is the InChIKey of ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is XXTGSLWRMRGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-25-20(24)14-6-8-21(9-7-14)18(22)12-26-15-4-5-16-13(2)10-19(23)27-17(16)11-15/h4-5,10-11,14H,3,6-9,12H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 1109013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).