methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate

C23H35NO4 — CID 102100108

IUPACmethyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate
SMILESCOC(=O)C(CC(C)C1COc2ccccc21)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C23H35NO4/c1-16(18-15-27-19-11-8-7-10-17(18)19)14-20(21(25)26-6)28-24-22(2,3)12-9-13-23(24,4)5/h7-8,10-11,16,18,20H,9,12-15H2,1-6H3
InChIKeyIVLOOAZLVLQQBJ-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.71
Rot. Bonds6

About methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate

methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate (PubChem CID 102100108) has the molecular formula C23H35NO4 and a molecular weight of 389.54 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate
PubChem CID102100108
Molecular FormulaC23H35NO4
Molecular Weight389.54 g/mol
Exact Mass389.26
IUPAC Namemethyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate
SMILESCOC(=O)C(CC(C)C1COc2ccccc21)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C23H35NO4/c1-16(18-15-27-19-11-8-7-10-17(18)19)14-20(21(25)26-6)28-24-22(2,3)12-9-13-23(24,4)5/h7-8,10-11,16,18,20H,9,12-15H2,1-6H3
InChIKeyIVLOOAZLVLQQBJ-UHFFFAOYSA-N
XLogP4.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate?
The IUPAC name of methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate (CID 102100108) is methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate?
The canonical SMILES for methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate is COC(=O)C(CC(C)C1COc2ccccc21)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate?
The InChIKey is IVLOOAZLVLQQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO4/c1-16(18-15-27-19-11-8-7-10-17(18)19)14-20(21(25)26-6)28-24-22(2,3)12-9-13-23(24,4)5/h7-8,10-11,16,18,20H,9,12-15H2,1-6H3.
What are the key properties of methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate?
methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate has a molecular weight of 389.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoate is sourced from PubChem (CID 102100108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).