5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid

C14H22N2O3 — CID 55174998

IUPAC5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESCN1CCC(CN(C)Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H22N2O3/c1-15-7-5-11(6-8-15)9-16(2)10-12-3-4-13(19-12)14(17)18/h3-4,11H,5-10H2,1-2H3,(H,17,18)
InChIKeyQOVGNOACJQTRDG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.75
Rot. Bonds5

About 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid

5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 55174998) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
PubChem CID55174998
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESCN1CCC(CN(C)Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H22N2O3/c1-15-7-5-11(6-8-15)9-16(2)10-12-3-4-13(19-12)14(17)18/h3-4,11H,5-10H2,1-2H3,(H,17,18)
InChIKeyQOVGNOACJQTRDG-UHFFFAOYSA-N
XLogP1.75
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 63236410
5-[methyl-[(1-methylpiperidin-4-yl)methyl]sulfamoyl]furan-2-carboxylic acid
CID 63236452
5-[[2-[cyclopentyl(methyl)amino]ethyl-methylamino]methyl]furan-2-carboxylic acid
CID 134714681
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
5-[[methyl-(4-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 61437134
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 43564388
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 56700615
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 82110625
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid (CID 55174998) is 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid is CN1CCC(CN(C)Cc2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is QOVGNOACJQTRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-7-5-11(6-8-15)9-16(2)10-12-3-4-13(19-12)14(17)18/h3-4,11H,5-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 55174998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).