[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone

C18H22N2O2 — CID 91679692

IUPAC[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(-c2cccc(N)c2)o1
InChIInChI=1S/C18H22N2O2/c1-12-5-3-6-13(2)20(12)18(21)17-10-9-16(22-17)14-7-4-8-15(19)11-14/h4,7-13H,3,5-6,19H2,1-2H3
InChIKeyYIPKPEMXLURCPQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.93
Rot. Bonds2

About [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone

[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 91679692) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID91679692
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(-c2cccc(N)c2)o1
InChIInChI=1S/C18H22N2O2/c1-12-5-3-6-13(2)20(12)18(21)17-10-9-16(22-17)14-7-4-8-15(19)11-14/h4,7-13H,3,5-6,19H2,1-2H3
InChIKeyYIPKPEMXLURCPQ-UHFFFAOYSA-N
XLogP3.93
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 91679692) is [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1ccc(-c2cccc(N)c2)o1.
What is the InChIKey of [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is YIPKPEMXLURCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-5-3-6-13(2)20(12)18(21)17-10-9-16(22-17)14-7-4-8-15(19)11-14/h4,7-13H,3,5-6,19H2,1-2H3.
What are the key properties of [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
[5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminophenyl)furan-2-yl]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 91679692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).