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

C14H22N2O3 — CID 79089965

IUPAC5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H22N2O3/c1-10(12-6-7-13(19-12)14(17)18)16(3)11-5-4-8-15(2)9-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyWULWKLUCKCMEQG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.06
Rot. Bonds4

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

5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 79089965) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid
PubChem CID79089965
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H22N2O3/c1-10(12-6-7-13(19-12)14(17)18)16(3)11-5-4-8-15(2)9-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyWULWKLUCKCMEQG-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-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

5-[1-[methyl(oxan-4-yl)amino]ethyl]furan-2-carboxylic acid
CID 79084182
5-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]furan-2-carboxylic acid
CID 20990725
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
3-fluoro-4-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 107721085
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097
methyl 5-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]furan-2-carboxylate
CID 79084990
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
5-[1-[butyl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 20992998
1-(2,5-dimethylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-one
CID 62547330
5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
CID 107399553
5-[1-(dipropylamino)ethyl]furan-2-carboxylic acid
CID 20986641

Frequently Asked Questions

What is the IUPAC name of 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid (CID 79089965) is 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N(C)C1CCCN(C)C1.
What is the InChIKey of 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is WULWKLUCKCMEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(12-6-7-13(19-12)14(17)18)16(3)11-5-4-8-15(2)9-11/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79089965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).