3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide

C31H32N2O4 — CID 143085037

IUPAC3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide
SMILESCc1cc(Oc2c(-c3cccc(C(N)=O)c3)ccc3cc(O)ccc23)ccc1OCCN1CCCCC1
InChIInChI=1S/C31H32N2O4/c1-21-18-26(10-13-29(21)36-17-16-33-14-3-2-4-15-33)37-30-27(22-6-5-7-24(19-22)31(32)35)11-8-23-20-25(34)9-12-28(23)30/h5-13,18-20,34H,2-4,14-17H2,1H3,(H2,32,35)
InChIKeyLYLFRQKOCAALJS-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.28
Rot. Bonds8

About 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide

3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide (PubChem CID 143085037) has the molecular formula C31H32N2O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide.

Molecular Properties

Compound Name3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide
PubChem CID143085037
Molecular FormulaC31H32N2O4
Molecular Weight496.61 g/mol
Exact Mass496.24
IUPAC Name3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide
SMILESCc1cc(Oc2c(-c3cccc(C(N)=O)c3)ccc3cc(O)ccc23)ccc1OCCN1CCCCC1
InChIInChI=1S/C31H32N2O4/c1-21-18-26(10-13-29(21)36-17-16-33-14-3-2-4-15-33)37-30-27(22-6-5-7-24(19-22)31(32)35)11-8-23-20-25(34)9-12-28(23)30/h5-13,18-20,34H,2-4,14-17H2,1H3,(H2,32,35)
InChIKeyLYLFRQKOCAALJS-UHFFFAOYSA-N
XLogP6.28
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide?
The IUPAC name of 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide (CID 143085037) is 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide.
What is the SMILES notation for 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide?
The canonical SMILES for 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide is Cc1cc(Oc2c(-c3cccc(C(N)=O)c3)ccc3cc(O)ccc23)ccc1OCCN1CCCCC1.
What is the InChIKey of 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide?
The InChIKey is LYLFRQKOCAALJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4/c1-21-18-26(10-13-29(21)36-17-16-33-14-3-2-4-15-33)37-30-27(22-6-5-7-24(19-22)31(32)35)11-8-23-20-25(34)9-12-28(23)30/h5-13,18-20,34H,2-4,14-17H2,1H3,(H2,32,35).
What are the key properties of 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide?
3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide has a molecular weight of 496.61 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-hydroxy-1-[3-methyl-4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]benzamide is sourced from PubChem (CID 143085037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).