4-(piperazine-1-carbonyl)benzoic acid

C12H14N2O3 — CID 2050160

IUPAC4-(piperazine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-11(14-7-5-13-6-8-14)9-1-3-10(4-2-9)12(16)17/h1-4,13H,5-8H2,(H,16,17)
InChIKeyMHDUGMOWFSOPJS-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.43
Rot. Bonds2

About 4-(piperazine-1-carbonyl)benzoic acid

4-(piperazine-1-carbonyl)benzoic acid (PubChem CID 2050160) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(piperazine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(piperazine-1-carbonyl)benzoic acid
PubChem CID2050160
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(piperazine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-11(14-7-5-13-6-8-14)9-1-3-10(4-2-9)12(16)17/h1-4,13H,5-8H2,(H,16,17)
InChIKeyMHDUGMOWFSOPJS-UHFFFAOYSA-N
XLogP0.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazine-1-carbonyl)benzoic acid?
The IUPAC name of 4-(piperazine-1-carbonyl)benzoic acid (CID 2050160) is 4-(piperazine-1-carbonyl)benzoic acid.
What is the SMILES notation for 4-(piperazine-1-carbonyl)benzoic acid?
The canonical SMILES for 4-(piperazine-1-carbonyl)benzoic acid is O=C(O)c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(piperazine-1-carbonyl)benzoic acid?
The InChIKey is MHDUGMOWFSOPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(14-7-5-13-6-8-14)9-1-3-10(4-2-9)12(16)17/h1-4,13H,5-8H2,(H,16,17).
What are the key properties of 4-(piperazine-1-carbonyl)benzoic acid?
4-(piperazine-1-carbonyl)benzoic acid has a molecular weight of 234.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazine-1-carbonyl)benzoic acid is sourced from PubChem (CID 2050160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).