3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

C24H30F2N2O3 — CID 25280715

About 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 25280715) has the molecular formula C24H30F2N2O3 and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• PubChem CID: 25280715
• Molecular Formula: C24H30F2N2O3
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.22
• IUPAC Name: 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
• SMILES: COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)c(OC)c1
• InChI: InChI=1S/C24H30F2N2O3/c1-30-21-8-6-18(23(13-21)31-2)14-27-24(29)10-5-17-4-3-11-28(15-17)16-19-12-20(25)7-9-22(19)26/h6-9,12-13,17H,3-5,10-11,14-16H2,1-2H3,(H,27,29)/t17-/m0/s1
• InChIKey: ZCOANTGMPCLEBU-KRWDZBQOSA-N
• XLogP: 4.29
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The IUPAC name of 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide (CID 25280715) is 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

What is the SMILES notation for 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The canonical SMILES for 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cc(F)ccc3F)C2)c(OC)c1.

What is the InChIKey of 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

The InChIKey is ZCOANTGMPCLEBU-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30F2N2O3/c1-30-21-8-6-18(23(13-21)31-2)14-27-24(29)10-5-17-4-3-11-28(15-17)16-19-12-20(25)7-9-22(19)26/h6-9,12-13,17H,3-5,10-11,14-16H2,1-2H3,(H,27,29)/t17-/m0/s1.

What are the key properties of 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide?

3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 432.51 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 25280715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).