N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide

C25H33FN2O4 — CID 42343520

About N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 42343520) has the molecular formula C25H33FN2O4 and a molecular weight of 444.55 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 42343520
• Molecular Formula: C25H33FN2O4
• Molecular Weight: 444.55 g/mol
• Exact Mass: 444.24
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(F)c(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1
• InChI: InChI=1S/C25H33FN2O4/c1-30-21-9-10-23(26)20(13-21)17-28-12-4-5-18(16-28)6-11-25(29)27-15-19-7-8-22(31-2)14-24(19)32-3/h7-10,13-14,18H,4-6,11-12,15-17H2,1-3H3,(H,27,29)/t18-/m1/s1
• InChIKey: LONLIGMKIJHSPP-GOSISDBHSA-N
• XLogP: 4.16
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.55
LogP ≤ 5	4.16
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-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 42343520) is N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide is COc1ccc(F)c(CN2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1.

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

The InChIKey is LONLIGMKIJHSPP-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33FN2O4/c1-30-21-9-10-23(26)20(13-21)17-28-12-4-5-18(16-28)6-11-25(29)27-15-19-7-8-22(31-2)14-24(19)32-3/h7-10,13-14,18H,4-6,11-12,15-17H2,1-3H3,(H,27,29)/t18-/m1/s1.

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 444.55 g/mol, XLogP of 4.16, 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-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42343520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).