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

C14H22N2O3 — CID 62772481

IUPAC5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCCC(C)N1CCN(Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H22N2O3/c1-3-11(2)16-8-6-15(7-9-16)10-12-4-5-13(19-12)14(17)18/h4-5,11H,3,6-10H2,1-2H3,(H,17,18)
InChIKeySRDXAKXBGPBVET-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.89
Rot. Bonds5

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

5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 62772481) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID62772481
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCCC(C)N1CCN(Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C14H22N2O3/c1-3-11(2)16-8-6-15(7-9-16)10-12-4-5-13(19-12)14(17)18/h4-5,11H,3,6-10H2,1-2H3,(H,17,18)
InChIKeySRDXAKXBGPBVET-UHFFFAOYSA-N
XLogP1.89
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-butan-2-ylpiperazin-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-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
N-[[5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62774837
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 43581655
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
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
[4-[(4-butan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 62772849
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103577076
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 139348467

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid (CID 62772481) is 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid is CCC(C)N1CCN(Cc2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is SRDXAKXBGPBVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-11(2)16-8-6-15(7-9-16)10-12-4-5-13(19-12)14(17)18/h4-5,11H,3,6-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butan-2-ylpiperazin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 62772481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).