N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide

C25H34N2O4 — CID 25302311

About N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 25302311) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 25302311
• Molecular Formula: C25H34N2O4
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.25
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1
• InChI: InChI=1S/C25H34N2O4/c1-29-22-10-6-20(7-11-22)18-27-14-4-5-19(17-27)8-13-25(28)26-16-21-9-12-23(30-2)15-24(21)31-3/h6-7,9-12,15,19H,4-5,8,13-14,16-18H2,1-3H3,(H,26,28)/t19-/m1/s1
• InChIKey: MJPRLFSUKLTXAY-LJQANCHMSA-N
• XLogP: 4.02
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 25302311) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide is COc1ccc(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)cc1.

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

The InChIKey is MJPRLFSUKLTXAY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-29-22-10-6-20(7-11-22)18-27-14-4-5-19(17-27)8-13-25(28)26-16-21-9-12-23(30-2)15-24(21)31-3/h6-7,9-12,15,19H,4-5,8,13-14,16-18H2,1-3H3,(H,26,28)/t19-/m1/s1.

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 426.56 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25302311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).