(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone

C14H21NO2 — CID 84580899

IUPAC(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1c(C)coc1C
InChIInChI=1S/C14H21NO2/c1-4-12-7-5-6-8-15(12)14(16)13-10(2)9-17-11(13)3/h9,12H,4-8H2,1-3H3
InChIKeyDONASGFXLLJKDJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.30
Rot. Bonds2

About (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone

(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 84580899) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID84580899
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1c(C)coc1C
InChIInChI=1S/C14H21NO2/c1-4-12-7-5-6-8-15(12)14(16)13-10(2)9-17-11(13)3/h9,12H,4-8H2,1-3H3
InChIKeyDONASGFXLLJKDJ-UHFFFAOYSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 84580898
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
(2-ethylpiperidin-1-yl)-(1,2-oxazol-4-yl)methanone
CID 110855862
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
5-[(2R)-2-ethylpiperidine-1-carbonyl]-2,4-dimethylbenzenesulfonamide
CID 95382756
(4-bromo-3-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 112705639
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
1-[5-(2-ethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 47101065
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(5-aminofuran-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 82344192
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone (CID 84580899) is (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1c(C)coc1C.
What is the InChIKey of (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DONASGFXLLJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12-7-5-6-8-15(12)14(16)13-10(2)9-17-11(13)3/h9,12H,4-8H2,1-3H3.
What are the key properties of (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone?
(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 84580899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).