5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

C15H23NO3 — CID 112734477

IUPAC5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCCC1CCC(C)N(Cc2cc(C(=O)O)c(C)o2)C1
InChIInChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(8-12)9-13-7-14(15(17)18)11(3)19-13/h7,10,12H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyFIMOAUFUUSCVCK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.30
Rot. Bonds4

About 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 112734477) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID112734477
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCCC1CCC(C)N(Cc2cc(C(=O)O)c(C)o2)C1
InChIInChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(8-12)9-13-7-14(15(17)18)11(3)19-13/h7,10,12H,4-6,8-9H2,1-3H3,(H,17,18)
InChIKeyFIMOAUFUUSCVCK-UHFFFAOYSA-N
XLogP3.30
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 62124826
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
5-[(3-ethylsulfonylthiomorpholin-4-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 66375956
5-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 112626173
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 61218614
5-[[cyclopropylmethyl(propyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61441661
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 43477336
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 63954992
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477289
5-[(2,5-dioxopyrrol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 54907820
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 62889473

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (CID 112734477) is 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is CCC1CCC(C)N(Cc2cc(C(=O)O)c(C)o2)C1.
What is the InChIKey of 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is FIMOAUFUUSCVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12-6-5-10(2)16(8-12)9-13-7-14(15(17)18)11(3)19-13/h7,10,12H,4-6,8-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 112734477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).