(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one

C20H30N2O5 — CID 95198220

About (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one

(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one (PubChem CID 95198220) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one.

Molecular Properties

• Compound Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one
• PubChem CID: 95198220
• Molecular Formula: C20H30N2O5
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.22
• IUPAC Name: (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one
• SMILES: COc1cccc(CN2CCC[C@@](O)(CN3CCCOCC3)C2=O)c1OC
• InChI: InChI=1S/C20H30N2O5/c1-25-17-7-3-6-16(18(17)26-2)14-22-10-4-8-20(24,19(22)23)15-21-9-5-12-27-13-11-21/h3,6-7,24H,4-5,8-15H2,1-2H3/t20-/m1/s1
• InChIKey: KSUDSEWOPIUEIC-HXUWFJFHSA-N
• XLogP: 1.28
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	1.28
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-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one?

The IUPAC name of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one (CID 95198220) is (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one.

What is the SMILES notation for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one?

The canonical SMILES for (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one is COc1cccc(CN2CCC[C@@](O)(CN3CCCOCC3)C2=O)c1OC.

What is the InChIKey of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one?

The InChIKey is KSUDSEWOPIUEIC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-25-17-7-3-6-16(18(17)26-2)14-22-10-4-8-20(24,19(22)23)15-21-9-5-12-27-13-11-21/h3,6-7,24H,4-5,8-15H2,1-2H3/t20-/m1/s1.

What are the key properties of (3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one?

(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one has a molecular weight of 378.47 g/mol, XLogP of 1.28, 6 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-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 95198220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).