3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid

C25H24N2O3 — CID 155526332

IUPAC3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C25H24N2O3/c28-24(20-4-2-1-3-5-20)27-23-15-21(14-22(16-23)25(29)30)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-9,14-16,19,26H,10-13H2,(H,27,28)(H,29,30)
InChIKeyFVPOFFIPCBWDTP-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.77
Rot. Bonds5

About 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid

3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid (PubChem CID 155526332) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid.

Molecular Properties

Compound Name3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid
PubChem CID155526332
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C25H24N2O3/c28-24(20-4-2-1-3-5-20)27-23-15-21(14-22(16-23)25(29)30)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-9,14-16,19,26H,10-13H2,(H,27,28)(H,29,30)
InChIKeyFVPOFFIPCBWDTP-UHFFFAOYSA-N
XLogP4.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid?
The IUPAC name of 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid (CID 155526332) is 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid.
What is the SMILES notation for 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid?
The canonical SMILES for 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid is O=C(O)c1cc(NC(=O)c2ccccc2)cc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid?
The InChIKey is FVPOFFIPCBWDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24(20-4-2-1-3-5-20)27-23-15-21(14-22(16-23)25(29)30)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-9,14-16,19,26H,10-13H2,(H,27,28)(H,29,30).
What are the key properties of 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid?
3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid has a molecular weight of 400.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-5-(4-piperidin-4-ylphenyl)benzoic acid is sourced from PubChem (CID 155526332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).