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

C20H23NO6 — CID 7625008

IUPACethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C20H23NO6/c1-3-25-19(23)14-8-10-21(11-9-14)17(22)12-26-20(24)18-13(2)15-6-4-5-7-16(15)27-18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyDRWZIRRZJWRVJG-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.70
Rot. Bonds5

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

ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 7625008) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID7625008
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Nameethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C20H23NO6/c1-3-25-19(23)14-8-10-21(11-9-14)17(22)12-26-20(24)18-13(2)15-6-4-5-7-16(15)27-18/h4-7,14H,3,8-12H2,1-2H3
InChIKeyDRWZIRRZJWRVJG-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)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-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 7625008) is ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1.
What is the InChIKey of ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is DRWZIRRZJWRVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-3-25-19(23)14-8-10-21(11-9-14)17(22)12-26-20(24)18-13(2)15-6-4-5-7-16(15)27-18/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7625008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).