methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate

C18H19NO6 — CID 7193669

IUPACmethyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H19NO6/c1-23-17(21)12-6-8-19(9-7-12)16(20)11-24-18(22)15-10-13-4-2-3-5-14(13)25-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyCRFMHIQXWVHXIE-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.00
Rot. Bonds4

About methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate

methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate (PubChem CID 7193669) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
PubChem CID7193669
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Namemethyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C18H19NO6/c1-23-17(21)12-6-8-19(9-7-12)16(20)11-24-18(22)15-10-13-4-2-3-5-14(13)25-15/h2-5,10,12H,6-9,11H2,1H3
InChIKeyCRFMHIQXWVHXIE-UHFFFAOYSA-N
XLogP2.00
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 7795692
methyl 1-[2-(1-benzothiophene-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7887288
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194015
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 9477620
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
methyl 1-[2-(1,4-dihydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7228482
methyl 1-[N-(1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252924
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665
methyl 1-[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 8012185
methyl 1-[2-[2-(difluoromethoxy)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55327517
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55640680

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate (CID 7193669) is methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate?
The InChIKey is CRFMHIQXWVHXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-23-17(21)12-6-8-19(9-7-12)16(20)11-24-18(22)15-10-13-4-2-3-5-14(13)25-15/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate has a molecular weight of 345.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7193669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).