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

C27H29Cl2N3O3 — CID 11443686

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

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 11443686) has the molecular formula C27H29Cl2N3O3 and a molecular weight of 514.45 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
• PubChem CID: 11443686
• Molecular Formula: C27H29Cl2N3O3
• Molecular Weight: 514.45 g/mol
• Exact Mass: 513.16
• IUPAC Name: 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
• SMILES: COc1ccc(C(=O)NCC2CCN(c3ccccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C27H29Cl2N3O3/c1-34-24-8-6-21(16-25(24)35-15-11-20-5-7-22(28)17-23(20)29)27(33)31-18-19-9-13-32(14-10-19)26-4-2-3-12-30-26/h2-8,12,16-17,19H,9-11,13-15,18H2,1H3,(H,31,33)
• InChIKey: XQUXMRXOJHGPCU-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.45
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 11443686) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

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

The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCN(c3ccccn3)CC2)cc1OCCc1ccc(Cl)cc1Cl.

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

The InChIKey is XQUXMRXOJHGPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N3O3/c1-34-24-8-6-21(16-25(24)35-15-11-20-5-7-22(28)17-23(20)29)27(33)31-18-19-9-13-32(14-10-19)26-4-2-3-12-30-26/h2-8,12,16-17,19H,9-11,13-15,18H2,1H3,(H,31,33).

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

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 514.45 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 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-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 11443686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).