2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid

C26H25ClN2O4 — CID 162648855

IUPAC2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCNCC3)c2)c1
InChIInChI=1S/C26H25ClN2O4/c27-22-9-8-18(15-24(22)33-21-10-12-28-13-11-21)17-5-3-6-20(14-17)26(32)29-23-7-2-1-4-19(23)16-25(30)31/h1-9,14-15,21,28H,10-13,16H2,(H,29,32)(H,30,31)
InChIKeyCNMYDAVATJWRII-UHFFFAOYSA-N
MW464.95 g/mol
LogP5.02
Rot. Bonds7

About 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid

2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid (PubChem CID 162648855) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
PubChem CID162648855
Molecular FormulaC26H25ClN2O4
Molecular Weight464.95 g/mol
Exact Mass464.15
IUPAC Name2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCNCC3)c2)c1
InChIInChI=1S/C26H25ClN2O4/c27-22-9-8-18(15-24(22)33-21-10-12-28-13-11-21)17-5-3-6-20(14-17)26(32)29-23-7-2-1-4-19(23)16-25(30)31/h1-9,14-15,21,28H,10-13,16H2,(H,29,32)(H,30,31)
InChIKeyCNMYDAVATJWRII-UHFFFAOYSA-N
XLogP5.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.95
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid (CID 162648855) is 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)c(OC3CCNCC3)c2)c1.
What is the InChIKey of 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
The InChIKey is CNMYDAVATJWRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c27-22-9-8-18(15-24(22)33-21-10-12-28-13-11-21)17-5-3-6-20(14-17)26(32)29-23-7-2-1-4-19(23)16-25(30)31/h1-9,14-15,21,28H,10-13,16H2,(H,29,32)(H,30,31).
What are the key properties of 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid has a molecular weight of 464.95 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(4-chloro-3-piperidin-4-yloxyphenyl)benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 162648855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).