4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid

C25H24N2O4 — CID 10960690

IUPAC4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N2O4/c28-24(29)19-11-13-22(14-12-19)31-23-15-17-26(18-16-23)25(30)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,29)
InChIKeyNDAYFCYCEFTLOB-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.19
Rot. Bonds5

About 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid

4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid (PubChem CID 10960690) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid
PubChem CID10960690
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N2O4/c28-24(29)19-11-13-22(14-12-19)31-23-15-17-26(18-16-23)25(30)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,29)
InChIKeyNDAYFCYCEFTLOB-UHFFFAOYSA-N
XLogP5.19
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid?
The IUPAC name of 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid (CID 10960690) is 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid is O=C(O)c1ccc(OC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid?
The InChIKey is NDAYFCYCEFTLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24(29)19-11-13-22(14-12-19)31-23-15-17-26(18-16-23)25(30)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,29).
What are the key properties of 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid?
4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid has a molecular weight of 416.48 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diphenylcarbamoyl)piperidin-4-yl]oxybenzoic acid is sourced from PubChem (CID 10960690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).