N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

C26H35ClN2O4 — CID 42708491

About N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 42708491) has the molecular formula C26H35ClN2O4 and a molecular weight of 475.03 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
• PubChem CID: 42708491
• Molecular Formula: C26H35ClN2O4
• Molecular Weight: 475.03 g/mol
• Exact Mass: 474.23
• IUPAC Name: N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
• SMILES: COc1cc(C(=O)N(CCCN2CCCCC2C)Cc2ccc(Cl)cc2)cc(OC)c1OC
• InChI: InChI=1S/C26H35ClN2O4/c1-19-8-5-6-13-28(19)14-7-15-29(18-20-9-11-22(27)12-10-20)26(30)21-16-23(31-2)25(33-4)24(17-21)32-3/h9-12,16-17,19H,5-8,13-15,18H2,1-4H3
• InChIKey: KWHUAOXYQGZWTF-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 51.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.03
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 42708491) is N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is COc1cc(C(=O)N(CCCN2CCCCC2C)Cc2ccc(Cl)cc2)cc(OC)c1OC.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?

The InChIKey is KWHUAOXYQGZWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN2O4/c1-19-8-5-6-13-28(19)14-7-15-29(18-20-9-11-22(27)12-10-20)26(30)21-16-23(31-2)25(33-4)24(17-21)32-3/h9-12,16-17,19H,5-8,13-15,18H2,1-4H3.

What are the key properties of N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide?

N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 475.03 g/mol, XLogP of 5.27, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-3,4,5-trimethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 42708491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).