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

C15H24N2O3 — CID 63236410

IUPAC3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CN(C)CC2CCN(C)CC2)oc1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11-8-13(20-14(11)15(18)19)10-17(3)9-12-4-6-16(2)7-5-12/h8,12H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyOIEQVDDHMXPSKQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.06
Rot. Bonds5

About 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid

3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 63236410) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
PubChem CID63236410
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1cc(CN(C)CC2CCN(C)CC2)oc1C(=O)O
InChIInChI=1S/C15H24N2O3/c1-11-8-13(20-14(11)15(18)19)10-17(3)9-12-4-6-16(2)7-5-12/h8,12H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyOIEQVDDHMXPSKQ-UHFFFAOYSA-N
XLogP2.06
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid
CID 55174998
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 105415399
5-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]-3-methylfuran-2-carboxylic acid
CID 79387056
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
N-(cyclopropylmethyl)-5-ethyl-3-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]furan-2-carboxamide
CID 129332923
3-methyl-5-[[methyl(pentan-2-yl)amino]methyl]furan-2-carboxylic acid
CID 43621110
3-methyl-5-[[methyl-[2-oxo-2-(propylamino)ethyl]amino]methyl]furan-2-carboxylic acid
CID 61451391
5-[[cyclopentylmethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 63631786
5-[(dipropylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 43621043
5-[[bis(2-methylpropyl)amino]methyl]-3-methylfuran-2-carboxylic acid
CID 61377893
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 104967824
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
CID 62856054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid (CID 63236410) is 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid is Cc1cc(CN(C)CC2CCN(C)CC2)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is OIEQVDDHMXPSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-8-13(20-14(11)15(18)19)10-17(3)9-12-4-6-16(2)7-5-12/h8,12H,4-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid?
3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63236410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).