5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid

C11H14N2O4 — CID 104606942

IUPAC5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)co2)CC1
InChIInChI=1S/C11H14N2O4/c1-12-2-4-13(5-3-12)10(14)9-6-8(7-17-9)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyHNOMRHJHAUPKMD-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.37
Rot. Bonds2

About 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid

5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 104606942) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
PubChem CID104606942
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid
SMILESCN1CCN(C(=O)c2cc(C(=O)O)co2)CC1
InChIInChI=1S/C11H14N2O4/c1-12-2-4-13(5-3-12)10(14)9-6-8(7-17-9)11(15)16/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyHNOMRHJHAUPKMD-UHFFFAOYSA-N
XLogP0.37
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
CID 114539304
5-(1,4-thiazepane-4-carbonyl)furan-3-carboxylic acid
CID 104607264
5-(4-tert-butylazepane-1-carbonyl)furan-3-carboxylic acid
CID 104607642
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)furan-3-carboxylic acid
CID 104607794
5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 104607879
5-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-3-carboxylic acid
CID 120552668
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
5-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)furan-3-carboxylic acid
CID 102885555
3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
CID 104607589
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid (CID 104606942) is 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid is CN1CCN(C(=O)c2cc(C(=O)O)co2)CC1.
What is the InChIKey of 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is HNOMRHJHAUPKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-2-4-13(5-3-12)10(14)9-6-8(7-17-9)11(15)16/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid?
5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 104606942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).