5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid

C12H18N2O3 — CID 20992392

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCCN1CCN(Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H18N2O3/c1-2-13-5-7-14(8-6-13)9-10-3-4-11(17-10)12(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)
InChIKeyFXUDJUSKWCLMTP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.12
Rot. Bonds4

About 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid

5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 20992392) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID20992392
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCCN1CCN(Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C12H18N2O3/c1-2-13-5-7-14(8-6-13)9-10-3-4-11(17-10)12(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)
InChIKeyFXUDJUSKWCLMTP-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-ethylpiperazin-1-yl)methyl]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-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 62772481
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
5-[[4-(2-carboxyethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid
CID 82323103
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 55213258
CID 162740801
CID 162740801

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid (CID 20992392) is 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid is CCN1CCN(Cc2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is FXUDJUSKWCLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-13-5-7-14(8-6-13)9-10-3-4-11(17-10)12(15)16/h3-4H,2,5-9H2,1H3,(H,15,16).
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 20992392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).