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

C19H21NO6 — CID 7292187

IUPACmethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C19H21NO6/c1-12-14-5-3-4-6-15(14)26-17(12)19(23)25-11-16(21)20-9-7-13(8-10-20)18(22)24-2/h3-6,13H,7-11H2,1-2H3
InChIKeyRDGRWLAYQABUSL-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.31
Rot. Bonds4

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

methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 7292187) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID7292187
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namemethyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C19H21NO6/c1-12-14-5-3-4-6-15(14)26-17(12)19(23)25-11-16(21)20-9-7-13(8-10-20)18(22)24-2/h3-6,13H,7-11H2,1-2H3
InChIKeyRDGRWLAYQABUSL-UHFFFAOYSA-N
XLogP2.31
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
[1-[Benzyl(methyl)amino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 4537700
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194107
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506284
(1-Benzofuran-2-yl)(3,5-dimethylpiperidin-1-yl)methanone
CID 24980730
(2,6-Dimethylmorpholino)(3-methylbenzofuran-2-yl)methanone
CID 2970615
3-Morpholin-4-ylmethyl-benzofuran-2-carboxylic acid ethyl ester
CID 6603178
methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-[2-(morpholin-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
CID 3773258
2-(1,3-Dioxoisoindolin-2-yl)ethyl benzofuran-2-carboxylate
CID 730704
Methyl 5-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxymethyl]furan-2-carboxylate
CID 2151944
[2-(Cyclopentylamino)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2563328

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 7292187) is methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2oc3ccccc3c2C)CC1.
What is the InChIKey of methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is RDGRWLAYQABUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-12-14-5-3-4-6-15(14)26-17(12)19(23)25-11-16(21)20-9-7-13(8-10-20)18(22)24-2/h3-6,13H,7-11H2,1-2H3.
What are the key properties of methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7292187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).