3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C32H32N2O3 — CID 118063483

IUPAC3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cccc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)c2)c1
InChIInChI=1S/C32H32N2O3/c1-34-19-17-30(18-20-34)37-29-15-11-24(12-16-29)23-9-13-28(14-10-23)33-32(35)27-7-3-5-25(21-27)26-6-4-8-31(22-26)36-2/h3-16,21-22,30H,17-20H2,1-2H3,(H,33,35)
InChIKeyQLBPRWSLMCEPKK-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.75
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063483) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063483
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cccc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)c2)c1
InChIInChI=1S/C32H32N2O3/c1-34-19-17-30(18-20-34)37-29-15-11-24(12-16-29)23-9-13-28(14-10-23)33-32(35)27-7-3-5-25(21-27)26-6-4-8-31(22-26)36-2/h3-16,21-22,30H,17-20H2,1-2H3,(H,33,35)
InChIKeyQLBPRWSLMCEPKK-UHFFFAOYSA-N
XLogP6.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063483) is 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1cccc(-c2cccc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is QLBPRWSLMCEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-34-19-17-30(18-20-34)37-29-15-11-24(12-16-29)23-9-13-28(14-10-23)33-32(35)27-7-3-5-25(21-27)26-6-4-8-31(22-26)36-2/h3-16,21-22,30H,17-20H2,1-2H3,(H,33,35).
What are the key properties of 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 492.62 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).