(2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C14H21NO2 — CID 4573434

IUPAC(2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)c(C)o1
InChIInChI=1S/C14H21NO2/c1-9-5-10(2)8-15(7-9)14(16)13-6-11(3)17-12(13)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyTXQXLHWDTMJCCT-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds1

About (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 4573434) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID4573434
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)c(C)o1
InChIInChI=1S/C14H21NO2/c1-9-5-10(2)8-15(7-9)14(16)13-6-11(3)17-12(13)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyTXQXLHWDTMJCCT-UHFFFAOYSA-N
XLogP3.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 4573434) is (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is TXQXLHWDTMJCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-5-10(2)8-15(7-9)14(16)13-6-11(3)17-12(13)4/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 4573434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).