5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

C14H21NO4 — CID 61218614

IUPAC5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOC1CCN(Cc2cc(C(=O)O)c(C)o2)CC1
InChIInChI=1S/C14H21NO4/c1-3-18-11-4-6-15(7-5-11)9-12-8-13(14(16)17)10(2)19-12/h8,11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyRRINGPWADWQNSD-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.29
Rot. Bonds5

About 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid

5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61218614) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61218614
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCCOC1CCN(Cc2cc(C(=O)O)c(C)o2)CC1
InChIInChI=1S/C14H21NO4/c1-3-18-11-4-6-15(7-5-11)9-12-8-13(14(16)17)10(2)19-12/h8,11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyRRINGPWADWQNSD-UHFFFAOYSA-N
XLogP2.29
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63573018
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 112626173
N-[[5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62427817
ethyl 1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 78789920
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 62889473
5-[[(2-cyclopentyloxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221920
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 62124826
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 103356685
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 82691035
3-[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909479

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid (CID 61218614) is 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is CCOC1CCN(Cc2cc(C(=O)O)c(C)o2)CC1.
What is the InChIKey of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RRINGPWADWQNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-18-11-4-6-15(7-5-11)9-12-8-13(14(16)17)10(2)19-12/h8,11H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid?
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61218614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).