4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid

C24H22N2O3 — CID 2051557

IUPAC4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H22N2O3/c27-23(20-6-8-21(9-7-20)24(28)29)26-16-14-25(15-17-26)22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13H,14-17H2,(H,28,29)
InChIKeyUADJLBBVXGFRHH-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.01
Rot. Bonds4

About 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid

4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 2051557) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
PubChem CID2051557
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H22N2O3/c27-23(20-6-8-21(9-7-20)24(28)29)26-16-14-25(15-17-26)22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13H,14-17H2,(H,28,29)
InChIKeyUADJLBBVXGFRHH-UHFFFAOYSA-N
XLogP4.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
1-(4-phenylphenyl)aziridine
CID 152682568
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid (CID 2051557) is 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is UADJLBBVXGFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(20-6-8-21(9-7-20)24(28)29)26-16-14-25(15-17-26)22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13H,14-17H2,(H,28,29).
What are the key properties of 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid?
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid has a molecular weight of 386.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 2051557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).