(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one

C21H28N2O5 — CID 95231035

About (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one

(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 95231035) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

• Compound Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one
• PubChem CID: 95231035
• Molecular Formula: C21H28N2O5
• Molecular Weight: 388.46 g/mol
• Exact Mass: 388.20
• IUPAC Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one
• SMILES: COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccco3)C2=O)c1OC
• InChI: InChI=1S/C21H28N2O5/c1-22(14-17-8-5-12-28-17)15-21(25)10-6-11-23(20(21)24)13-16-7-4-9-18(26-2)19(16)27-3/h4-5,7-9,12,25H,6,10-11,13-15H2,1-3H3/t21-/m1/s1
• InChIKey: HKENMFHVDKIFDN-OAQYLSRUSA-N
• XLogP: 2.28
• TPSA: 75.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.46
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one?

The IUPAC name of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one (CID 95231035) is (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one.

What is the SMILES notation for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one?

The canonical SMILES for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one is COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccco3)C2=O)c1OC.

What is the InChIKey of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one?

The InChIKey is HKENMFHVDKIFDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-22(14-17-8-5-12-28-17)15-21(25)10-6-11-23(20(21)24)13-16-7-4-9-18(26-2)19(16)27-3/h4-5,7-9,12,25H,6,10-11,13-15H2,1-3H3/t21-/m1/s1.

What are the key properties of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one?

(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 388.46 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 95231035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).