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

C14H22N2O3 — CID 103244476

IUPAC2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNCC2CCCCN2C)cc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10-13(14(17)18)7-12(19-10)9-15-8-11-5-3-4-6-16(11)2/h7,11,15H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyITODIHXTJINZDB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds5

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

2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid (PubChem CID 103244476) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
PubChem CID103244476
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNCC2CCCCN2C)cc1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-10-13(14(17)18)7-12(19-10)9-15-8-11-5-3-4-6-16(11)2/h7,11,15H,3-6,8-9H2,1-2H3,(H,17,18)
InChIKeyITODIHXTJINZDB-UHFFFAOYSA-N
XLogP1.86
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
2-methyl-5-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-3-carboxylic acid
CID 103263206
2-methyl-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103254255
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
2-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106023950
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[[(3-amino-3-oxopropyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103238811
2,6-dibromo-4-[[(1-methylpiperidin-2-yl)methylamino]methyl]phenol
CID 107740729

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid (CID 103244476) is 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid is Cc1oc(CNCC2CCCCN2C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
The InChIKey is ITODIHXTJINZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-13(14(17)18)7-12(19-10)9-15-8-11-5-3-4-6-16(11)2/h7,11,15H,3-6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1-methylpiperidin-2-yl)methylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103244476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).