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

C29H40N2O4 — CID 42700768

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

3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 42700768) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
• PubChem CID: 42700768
• Molecular Formula: C29H40N2O4
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.30
• IUPAC Name: 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
• SMILES: COc1cc(C(=O)N(CCCN2CCCCC2C)C/C(C)=C/c2ccccc2)cc(OC)c1OC
• InChI: InChI=1S/C29H40N2O4/c1-22(18-24-13-7-6-8-14-24)21-31(17-11-16-30-15-10-9-12-23(30)2)29(32)25-19-26(33-3)28(35-5)27(20-25)34-4/h6-8,13-14,18-20,23H,9-12,15-17,21H2,1-5H3/b22-18+
• InChIKey: PCGHBTIIIVGRFY-RELWKKBWSA-N
• XLogP: 5.52
• TPSA: 51.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide (CID 42700768) is 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide.

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

The canonical SMILES for 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is COc1cc(C(=O)N(CCCN2CCCCC2C)C/C(C)=C/c2ccccc2)cc(OC)c1OC.

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

The InChIKey is PCGHBTIIIVGRFY-RELWKKBWSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-22(18-24-13-7-6-8-14-24)21-31(17-11-16-30-15-10-9-12-23(30)2)29(32)25-19-26(33-3)28(35-5)27(20-25)34-4/h6-8,13-14,18-20,23H,9-12,15-17,21H2,1-5H3/b22-18+.

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

3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 480.65 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 42700768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).