4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid

C20H20Cl2N2O4 — CID 24825713

IUPAC4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C20H20Cl2N2O4/c21-15-4-1-14(18(22)11-15)12-23-20(27)24-9-7-17(8-10-24)28-16-5-2-13(3-6-16)19(25)26/h1-6,11,17H,7-10,12H2,(H,23,27)(H,25,26)
InChIKeySJFWZPJFJSGSAB-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.44
Rot. Bonds5

About 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid

4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid (PubChem CID 24825713) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid.

Molecular Properties

Compound Name4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid
PubChem CID24825713
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Name4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid
SMILESO=C(O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C20H20Cl2N2O4/c21-15-4-1-14(18(22)11-15)12-23-20(27)24-9-7-17(8-10-24)28-16-5-2-13(3-6-16)19(25)26/h1-6,11,17H,7-10,12H2,(H,23,27)(H,25,26)
InChIKeySJFWZPJFJSGSAB-UHFFFAOYSA-N
XLogP4.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid?
The IUPAC name of 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid (CID 24825713) is 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid.
What is the SMILES notation for 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid?
The canonical SMILES for 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid is O=C(O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid?
The InChIKey is SJFWZPJFJSGSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c21-15-4-1-14(18(22)11-15)12-23-20(27)24-9-7-17(8-10-24)28-16-5-2-13(3-6-16)19(25)26/h1-6,11,17H,7-10,12H2,(H,23,27)(H,25,26).
What are the key properties of 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid?
4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid has a molecular weight of 423.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-dichlorophenyl)methylcarbamoyl]piperidin-4-yl]oxybenzoic acid is sourced from PubChem (CID 24825713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).