2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide

C32H34N2O5 — CID 58878023

About 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide

2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide (PubChem CID 58878023) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
• PubChem CID: 58878023
• Molecular Formula: C32H34N2O5
• Molecular Weight: 526.63 g/mol
• Exact Mass: 526.25
• IUPAC Name: 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1cc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)ccc1O
• InChI: InChI=1S/C32H34N2O5/c1-33(2)32(37)29-21-23(7-15-30(29)36)27-13-6-22-20-24(35)8-14-28(22)31(27)39-26-11-9-25(10-12-26)38-19-18-34-16-4-3-5-17-34/h6-15,20-21,35-36H,3-5,16-19H2,1-2H3
• InChIKey: RDABMDLAXDVHHD-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 82.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.63
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

The IUPAC name of 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide (CID 58878023) is 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(-c2ccc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)ccc1O.

What is the InChIKey of 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

The InChIKey is RDABMDLAXDVHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-33(2)32(37)29-21-23(7-15-30(29)36)27-13-6-22-20-24(35)8-14-28(22)31(27)39-26-11-9-25(10-12-26)38-19-18-34-16-4-3-5-17-34/h6-15,20-21,35-36H,3-5,16-19H2,1-2H3.

What are the key properties of 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide?

2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide has a molecular weight of 526.63 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 58878023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).