3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide

C27H35Cl2N3O3 — CID 11226168

About 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 11226168) has the molecular formula C27H35Cl2N3O3 and a molecular weight of 520.50 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide
• PubChem CID: 11226168
• Molecular Formula: C27H35Cl2N3O3
• Molecular Weight: 520.50 g/mol
• Exact Mass: 519.21
• IUPAC Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide
• SMILES: COc1ccc(C(=O)NCC2CCN(C3CCNCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C27H35Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-5,16-17,19,23,30H,6-15,18H2,1H3,(H,31,33)
• InChIKey: WVPKJUIQXLMIID-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.50
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide?

The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide (CID 11226168) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide.

What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide?

The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCN(C3CCNCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl.

What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide?

The InChIKey is WVPKJUIQXLMIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Cl2N3O3/c1-34-25-5-3-21(16-26(25)35-15-10-20-2-4-22(28)17-24(20)29)27(33)31-18-19-8-13-32(14-9-19)23-6-11-30-12-7-23/h2-5,16-17,19,23,30H,6-15,18H2,1H3,(H,31,33).

What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide?

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 520.50 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 11226168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).