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

C12H17NO3 — CID 43477695

IUPAC2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCC1CCCN(Cc2occc2C(=O)O)C1
InChIInChI=1S/C12H17NO3/c1-9-3-2-5-13(7-9)8-11-10(12(14)15)4-6-16-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,15)
InChIKeyHPUGTZJHKNZUCV-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.21
Rot. Bonds3

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

2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 43477695) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID43477695
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCC1CCCN(Cc2occc2C(=O)O)C1
InChIInChI=1S/C12H17NO3/c1-9-3-2-5-13(7-9)8-11-10(12(14)15)4-6-16-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,15)
InChIKeyHPUGTZJHKNZUCV-UHFFFAOYSA-N
XLogP2.21
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325
[3-[(3-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438898
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 43477735
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
2-[(4-propan-2-ylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 43585427

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid (CID 43477695) is 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid is CC1CCCN(Cc2occc2C(=O)O)C1.
What is the InChIKey of 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is HPUGTZJHKNZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-3-2-5-13(7-9)8-11-10(12(14)15)4-6-16-11/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).