[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

C18H20N2O6 — CID 8887216

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)Cc1coc2cc(O)ccc12
InChIInChI=1S/C18H20N2O6/c19-18(24)14-3-1-2-6-20(14)16(22)10-26-17(23)7-11-9-25-15-8-12(21)4-5-13(11)15/h4-5,8-9,14,21H,1-3,6-7,10H2,(H2,19,24)/t14-/m1/s1
InChIKeyGMOCUTMLZLGFKC-CQSZACIVSA-N
MW360.37 g/mol
LogP1.09
Rot. Bonds5

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (PubChem CID 8887216) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
PubChem CID8887216
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)Cc1coc2cc(O)ccc12
InChIInChI=1S/C18H20N2O6/c19-18(24)14-3-1-2-6-20(14)16(22)10-26-17(23)7-11-9-25-15-8-12(21)4-5-13(11)15/h4-5,8-9,14,21H,1-3,6-7,10H2,(H2,19,24)/t14-/m1/s1
InChIKeyGMOCUTMLZLGFKC-CQSZACIVSA-N
XLogP1.09
TPSA123.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807227
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415577
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415393
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414866
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414871
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 9019324
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8845835
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7901485
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415045
methyl 1-[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 2426417
(2-anilino-2-oxoethyl) 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807183

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate (CID 8887216) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is NC(=O)[C@H]1CCCCN1C(=O)COC(=O)Cc1coc2cc(O)ccc12.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
The InChIKey is GMOCUTMLZLGFKC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O6/c19-18(24)14-3-1-2-6-20(14)16(22)10-26-17(23)7-11-9-25-15-8-12(21)4-5-13(11)15/h4-5,8-9,14,21H,1-3,6-7,10H2,(H2,19,24)/t14-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate has a molecular weight of 360.37 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8887216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).