1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone

C13H19NO2 — CID 104651765

IUPAC1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(C)(C)C2)o1
InChIInChI=1S/C13H19NO2/c1-10(15)11-5-6-12(16-11)14-8-4-7-13(2,3)9-14/h5-6H,4,7-9H2,1-3H3
InChIKeyDUVIWYFMBNZWFQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.11
Rot. Bonds2

About 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone

1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone (PubChem CID 104651765) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone
PubChem CID104651765
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(N2CCCC(C)(C)C2)o1
InChIInChI=1S/C13H19NO2/c1-10(15)11-5-6-12(16-11)14-8-4-7-13(2,3)9-14/h5-6H,4,7-9H2,1-3H3
InChIKeyDUVIWYFMBNZWFQ-UHFFFAOYSA-N
XLogP3.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
CID 82375805
1-[5-(4-hydroxy-4-methylpiperidin-1-yl)furan-2-yl]ethanone
CID 104651822
1-[5-(3-methylpiperidin-1-yl)furan-2-yl]ethanone
CID 104651487
1-[5-(4-propylpiperazin-1-yl)furan-2-yl]ethanone
CID 104651522
1-[4-bromo-2-(3,3-dimethylpiperidin-1-yl)phenyl]ethanone
CID 82967138
1-[5-[3-(hydroxymethyl)pyrrolidin-1-yl]furan-2-yl]ethanone
CID 104651846
1-[5-(3-methoxypyrrolidin-1-yl)furan-2-yl]ethanone
CID 103534376
1-[5-(3-propoxypiperidin-1-yl)furan-2-yl]ethanone
CID 113437384
4-(3,3-dimethylpiperidin-1-yl)phenol
CID 11217983
3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 114288722
1-[5-(2,5-dimethylmorpholin-4-yl)furan-2-yl]ethanone
CID 104651562
2-bromo-6-(3,3-dimethylpiperidin-1-yl)benzoic acid
CID 114888260

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone (CID 104651765) is 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone is CC(=O)c1ccc(N2CCCC(C)(C)C2)o1.
What is the InChIKey of 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone?
The InChIKey is DUVIWYFMBNZWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(15)11-5-6-12(16-11)14-8-4-7-13(2,3)9-14/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone?
1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,3-dimethylpiperidin-1-yl)furan-2-yl]ethanone is sourced from PubChem (CID 104651765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).