3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione

C15H18N2O3 — CID 66364542

IUPAC3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCC2Cc3ccccc3O2)C1=O
InChIInChI=1S/C15H18N2O3/c1-17-14(18)7-6-12(15(17)19)16-9-11-8-10-4-2-3-5-13(10)20-11/h2-5,11-12,16H,6-9H2,1H3
InChIKeyHOHAMAFPNZSKGD-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.73
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione (PubChem CID 66364542) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione
PubChem CID66364542
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(NCC2Cc3ccccc3O2)C1=O
InChIInChI=1S/C15H18N2O3/c1-17-14(18)7-6-12(15(17)19)16-9-11-8-10-4-2-3-5-13(10)20-11/h2-5,11-12,16H,6-9H2,1H3
InChIKeyHOHAMAFPNZSKGD-UHFFFAOYSA-N
XLogP0.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
1-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106257211
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115708414
(2R)-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95132254
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 61003470
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
CID 65073328
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione (CID 66364542) is 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(NCC2Cc3ccccc3O2)C1=O.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione?
The InChIKey is HOHAMAFPNZSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-14(18)7-6-12(15(17)19)16-9-11-8-10-4-2-3-5-13(10)20-11/h2-5,11-12,16H,6-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione?
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 66364542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).