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

C13H19NO2 — CID 84580898

IUPAC(2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1coc(C)c1C(=O)N1CCCCC1C
InChIInChI=1S/C13H19NO2/c1-9-8-16-11(3)12(9)13(15)14-7-5-4-6-10(14)2/h8,10H,4-7H2,1-3H3
InChIKeyTVLKRSPDJBEGDF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.91
Rot. Bonds1

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

(2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 84580898) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID84580898
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1coc(C)c1C(=O)N1CCCCC1C
InChIInChI=1S/C13H19NO2/c1-9-8-16-11(3)12(9)13(15)14-7-5-4-6-10(14)2/h8,10H,4-7H2,1-3H3
InChIKeyTVLKRSPDJBEGDF-UHFFFAOYSA-N
XLogP2.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylfuran-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 84580899
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
(2-chloro-5,6-difluoro-3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 876122
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 167312115
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 84580898) is (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone is Cc1coc(C)c1C(=O)N1CCCCC1C.
What is the InChIKey of (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is TVLKRSPDJBEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-8-16-11(3)12(9)13(15)14-7-5-4-6-10(14)2/h8,10H,4-7H2,1-3H3.
What are the key properties of (2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone?
(2,4-dimethylfuran-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 2.91, 1 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 84580898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).