2-(4-phenylpiperazine-1-carbonyl)benzoic acid

C18H18N2O3 — CID 710257

IUPAC2-(4-phenylpiperazine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,23)
InChIKeyCQJNRWLTKIHAMK-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-phenylpiperazine-1-carbonyl)benzoic acid

2-(4-phenylpiperazine-1-carbonyl)benzoic acid (PubChem CID 710257) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(4-phenylpiperazine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(4-phenylpiperazine-1-carbonyl)benzoic acid
PubChem CID710257
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(4-phenylpiperazine-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,23)
InChIKeyCQJNRWLTKIHAMK-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)benzoic acid (CID 710257) is 2-(4-phenylpiperazine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(4-phenylpiperazine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(4-phenylpiperazine-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazine-1-carbonyl)benzoic acid?
The InChIKey is CQJNRWLTKIHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,23).
What are the key properties of 2-(4-phenylpiperazine-1-carbonyl)benzoic acid?
2-(4-phenylpiperazine-1-carbonyl)benzoic acid has a molecular weight of 310.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazine-1-carbonyl)benzoic acid is sourced from PubChem (CID 710257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).