1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione

C13H18N2O3 — CID 113372256

IUPAC1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(CN)o2)C(=O)C1
InChIInChI=1S/C13H18N2O3/c1-13(2)5-11(16)15(12(17)6-13)8-10-4-3-9(7-14)18-10/h3-4H,5-8,14H2,1-2H3
InChIKeyHQVDYKYENDQGAH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.41
Rot. Bonds3

About 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione

1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione (PubChem CID 113372256) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione
PubChem CID113372256
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(Cc2ccc(CN)o2)C(=O)C1
InChIInChI=1S/C13H18N2O3/c1-13(2)5-11(16)15(12(17)6-13)8-10-4-3-9(7-14)18-10/h3-4H,5-8,14H2,1-2H3
InChIKeyHQVDYKYENDQGAH-UHFFFAOYSA-N
XLogP1.41
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione (CID 113372256) is 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(Cc2ccc(CN)o2)C(=O)C1.
What is the InChIKey of 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is HQVDYKYENDQGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2)5-11(16)15(12(17)6-13)8-10-4-3-9(7-14)18-10/h3-4H,5-8,14H2,1-2H3.
What are the key properties of 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione?
1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 250.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)furan-2-yl]methyl]-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 113372256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).