2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid

C25H25N3O3 — CID 69324155

IUPAC2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
SMILESO=C(Nc1ccc(N2CCN(C(C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O3/c29-24(20-9-5-2-6-10-20)26-21-11-13-22(14-12-21)27-15-17-28(18-16-27)23(25(30)31)19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,26,29)(H,30,31)
InChIKeyGATXGCPZDQDMDV-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.89
Rot. Bonds6

About 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid

2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid (PubChem CID 69324155) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
PubChem CID69324155
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid
SMILESO=C(Nc1ccc(N2CCN(C(C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C25H25N3O3/c29-24(20-9-5-2-6-10-20)26-21-11-13-22(14-12-21)27-15-17-28(18-16-27)23(25(30)31)19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,26,29)(H,30,31)
InChIKeyGATXGCPZDQDMDV-UHFFFAOYSA-N
XLogP3.89
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[(2-iodobenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetic acid
CID 22499405
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
methyl 2-[4-[4-[(3-ethylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 58870690
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055949
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
methyl 2-[4-[4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666631
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
methyl 2-phenyl-2-[4-[4-[(2-phenylbenzoyl)amino]phenyl]piperazin-1-yl]acetate
CID 22499399
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid?
The IUPAC name of 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid (CID 69324155) is 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid is O=C(Nc1ccc(N2CCN(C(C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid?
The InChIKey is GATXGCPZDQDMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(20-9-5-2-6-10-20)26-21-11-13-22(14-12-21)27-15-17-28(18-16-27)23(25(30)31)19-7-3-1-4-8-19/h1-14,23H,15-18H2,(H,26,29)(H,30,31).
What are the key properties of 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid?
2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid has a molecular weight of 415.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzamidophenyl)piperazin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 69324155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).