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

C14H22N2O3 — CID 43586208

IUPAC5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2CCC(N(C)C)CC2)cc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10-13(14(17)18)8-12(19-10)9-16-6-4-11(5-7-16)15(2)3/h8,11H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyHIRLWHUXVUTLBA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.81
Rot. Bonds4

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

5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 43586208) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID43586208
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2CCC(N(C)C)CC2)cc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10-13(14(17)18)8-12(19-10)9-16-6-4-11(5-7-16)15(2)3/h8,11H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyHIRLWHUXVUTLBA-UHFFFAOYSA-N
XLogP1.81
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 61218614
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 62889473
5-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 112626173
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
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
2-methyl-5-[[methyl(thiolan-3-yl)amino]methyl]furan-3-carboxylic acid
CID 43477431
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid (CID 43586208) is 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN2CCC(N(C)C)CC2)cc1C(=O)O.
What is the InChIKey of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is HIRLWHUXVUTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-13(14(17)18)8-12(19-10)9-16-6-4-11(5-7-16)15(2)3/h8,11H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid?
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 43586208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).