2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid

C26H26N2O5 — CID 22484932

IUPAC2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Oc2ccc(OC3CCNCC3)cc2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C26H26N2O5/c29-25(28-24-4-2-1-3-23(24)26(30)31)17-18-5-7-19(8-6-18)32-20-9-11-21(12-10-20)33-22-13-15-27-16-14-22/h1-12,22,27H,13-17H2,(H,28,29)(H,30,31)
InChIKeyXRWBBWPCJZXOJJ-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.49
Rot. Bonds8

About 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid

2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid (PubChem CID 22484932) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid
PubChem CID22484932
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(Oc2ccc(OC3CCNCC3)cc2)cc1)Nc1ccccc1C(=O)O
InChIInChI=1S/C26H26N2O5/c29-25(28-24-4-2-1-3-23(24)26(30)31)17-18-5-7-19(8-6-18)32-20-9-11-21(12-10-20)33-22-13-15-27-16-14-22/h1-12,22,27H,13-17H2,(H,28,29)(H,30,31)
InChIKeyXRWBBWPCJZXOJJ-UHFFFAOYSA-N
XLogP4.49
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-[4-(5-methoxycyclooctyl)oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20781005
2-[[2-[4-[4-[4-[(4-carboxybenzoyl)amino]cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601867
2-[[2-[4-[6-(4-aminocyclohexyl)oxynaphthalen-2-yl]oxyphenyl]acetyl]amino]benzoic acid
CID 22484871
2-[[2-[4-[4-[4-(propylsulfonylamino)cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601942
2-[[2-[6-(4-cyclopentyloxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602350
2-[[2-[4-[4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601943
2-[[2-[4-[4-[4-(butoxycarbonylamino)cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601909
2-[[2-[4-[4-[4-[(3,4-dichlorofuran-2-carbonyl)amino]cyclohexyl]oxyphenoxy]phenyl]acetyl]amino]benzoic acid
CID 20601834
2-[[2-[6-[4-(3-hydroxycyclohexyl)oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602156
cyclohexanol;methyl 2-[[2-[4-(4-cyclohexyloxyphenoxy)phenyl]acetyl]amino]benzoate;methyl 2-[[2-[4-(4-hydroxyphenoxy)phenyl]acetyl]amino]benzoate
CID 158092744
2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide
CID 141019781
2-[[2-[6-[4-[4-(cyclohexanecarbonylamino)cyclohexyl]oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602285

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid (CID 22484932) is 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid is O=C(Cc1ccc(Oc2ccc(OC3CCNCC3)cc2)cc1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid?
The InChIKey is XRWBBWPCJZXOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c29-25(28-24-4-2-1-3-23(24)26(30)31)17-18-5-7-19(8-6-18)32-20-9-11-21(12-10-20)33-22-13-15-27-16-14-22/h1-12,22,27H,13-17H2,(H,28,29)(H,30,31).
What are the key properties of 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid?
2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid has a molecular weight of 446.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid is sourced from PubChem (CID 22484932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).