5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid

C12H18N2O3 — CID 139348467

IUPAC5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCN1CCN(CCc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H18N2O3/c1-13-6-8-14(9-7-13)5-4-10-2-3-11(17-10)12(15)16/h2-3H,4-9H2,1H3,(H,15,16)
InChIKeySHRUHXATEHPMNB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds4

About 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid

5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid (PubChem CID 139348467) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
PubChem CID139348467
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
SMILESCN1CCN(CCc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H18N2O3/c1-13-6-8-14(9-7-13)5-4-10-2-3-11(17-10)12(15)16/h2-3H,4-9H2,1H3,(H,15,16)
InChIKeySHRUHXATEHPMNB-UHFFFAOYSA-N
XLogP0.77
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-methylpiperazin-1-yl)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-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
5-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 175358511
5-[[4-(2-carboxyethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid
CID 82323103
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]cyclopropane-1-carboxylic acid
CID 117466051
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 62772481
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methanone
CID 72901420

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid (CID 139348467) is 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid is CN1CCN(CCc2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
The InChIKey is SHRUHXATEHPMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-6-8-14(9-7-13)5-4-10-2-3-11(17-10)12(15)16/h2-3H,4-9H2,1H3,(H,15,16).
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid?
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 139348467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).