N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide

C26H33N3O3 — CID 45218347

About N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 45218347) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
• PubChem CID: 45218347
• Molecular Formula: C26H33N3O3
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.25
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2CCCN(Cc3c[nH]c4ccccc34)C2)c(OC)c1
• InChI: InChI=1S/C26H33N3O3/c1-31-22-11-10-20(25(14-22)32-2)15-28-26(30)12-9-19-6-5-13-29(17-19)18-21-16-27-24-8-4-3-7-23(21)24/h3-4,7-8,10-11,14,16,19,27H,5-6,9,12-13,15,17-18H2,1-2H3,(H,28,30)
• InChIKey: YXBWQODCFLSJOZ-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 66.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide (CID 45218347) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(Cc3c[nH]c4ccccc34)C2)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide?

The InChIKey is YXBWQODCFLSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-31-22-11-10-20(25(14-22)32-2)15-28-26(30)12-9-19-6-5-13-29(17-19)18-21-16-27-24-8-4-3-7-23(21)24/h3-4,7-8,10-11,14,16,19,27H,5-6,9,12-13,15,17-18H2,1-2H3,(H,28,30).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 435.57 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45218347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).