5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid

C13H18N2O4 — CID 114539304

IUPAC5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(=O)O)co2)CC(C)N1C
InChIInChI=1S/C13H18N2O4/c1-8-5-15(6-9(2)14(8)3)12(16)11-4-10(7-19-11)13(17)18/h4,7-9H,5-6H2,1-3H3,(H,17,18)
InChIKeyCDUJOTSRJYVMQA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.14
Rot. Bonds2

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

5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 114539304) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
PubChem CID114539304
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid
SMILESCC1CN(C(=O)c2cc(C(=O)O)co2)CC(C)N1C
InChIInChI=1S/C13H18N2O4/c1-8-5-15(6-9(2)14(8)3)12(16)11-4-10(7-19-11)13(17)18/h4,7-9H,5-6H2,1-3H3,(H,17,18)
InChIKeyCDUJOTSRJYVMQA-UHFFFAOYSA-N
XLogP1.14
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid (CID 114539304) is 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid is CC1CN(C(=O)c2cc(C(=O)O)co2)CC(C)N1C.
What is the InChIKey of 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is CDUJOTSRJYVMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-5-15(6-9(2)14(8)3)12(16)11-4-10(7-19-11)13(17)18/h4,7-9H,5-6H2,1-3H3,(H,17,18).
What are the key properties of 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid?
5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,5-trimethylpiperazine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 114539304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).