(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

C13H20N2O2 — CID 115304339

IUPAC(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2occc2C)CC1
InChIInChI=1S/C13H20N2O2/c1-10-4-9-17-11(10)12(16)15-7-5-13(2,14-3)6-8-15/h4,9,14H,5-8H2,1-3H3
InChIKeyFWOCPUVEBKZWSU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds2

About (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone

(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 115304339) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID115304339
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1(C)CCN(C(=O)c2occc2C)CC1
InChIInChI=1S/C13H20N2O2/c1-10-4-9-17-11(10)12(16)15-7-5-13(2,14-3)6-8-15/h4,9,14H,5-8H2,1-3H3
InChIKeyFWOCPUVEBKZWSU-UHFFFAOYSA-N
XLogP1.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2,6-difluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 82816025
(3,3-dimethylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 79507269
(3R)-2-methyl-8-(3-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95727982
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
(1,1-dioxo-1,4-thiazepan-4-yl)-(3-methylfuran-2-yl)methanone
CID 138992019
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51292618
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 115304339) is (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1(C)CCN(C(=O)c2occc2C)CC1.
What is the InChIKey of (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is FWOCPUVEBKZWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-9-17-11(10)12(16)15-7-5-13(2,14-3)6-8-15/h4,9,14H,5-8H2,1-3H3.
What are the key properties of (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone?
(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 236.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 115304339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).