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

C24H31ClN2O3 — CID 45211190

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

3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 45211190) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• PubChem CID: 45211190
• Molecular Formula: C24H31ClN2O3
• Molecular Weight: 430.98 g/mol
• Exact Mass: 430.20
• IUPAC Name: 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2CCCN(Cc3cccc(Cl)c3)C2)c(OC)c1
• InChI: InChI=1S/C24H31ClN2O3/c1-29-22-10-9-20(23(14-22)30-2)15-26-24(28)11-8-18-6-4-12-27(16-18)17-19-5-3-7-21(25)13-19/h3,5,7,9-10,13-14,18H,4,6,8,11-12,15-17H2,1-2H3,(H,26,28)
• InChIKey: QXRQPFZHLNKABJ-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.98
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (CID 45211190) is 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

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

The canonical SMILES for 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(Cc3cccc(Cl)c3)C2)c(OC)c1.

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

The InChIKey is QXRQPFZHLNKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-29-22-10-9-20(23(14-22)30-2)15-26-24(28)11-8-18-6-4-12-27(16-18)17-19-5-3-7-21(25)13-19/h3,5,7,9-10,13-14,18H,4,6,8,11-12,15-17H2,1-2H3,(H,26,28).

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

3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 430.98 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 45211190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).