1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one

C20H31N3O4 — CID 56722761

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

1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one (PubChem CID 56722761) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one
• PubChem CID: 56722761
• Molecular Formula: C20H31N3O4
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.23
• IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one
• SMILES: COc1cccc(CN2CCCC(O)(CNC3CCNCC3)C2=O)c1OC
• InChI: InChI=1S/C20H31N3O4/c1-26-17-6-3-5-15(18(17)27-2)13-23-12-4-9-20(25,19(23)24)14-22-16-7-10-21-11-8-16/h3,5-6,16,21-22,25H,4,7-14H2,1-2H3
• InChIKey: WMBTXYUVTGUXOO-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 83.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one?

The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one (CID 56722761) is 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one.

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

The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one is COc1cccc(CN2CCCC(O)(CNC3CCNCC3)C2=O)c1OC.

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

The InChIKey is WMBTXYUVTGUXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-26-17-6-3-5-15(18(17)27-2)13-23-12-4-9-20(25,19(23)24)14-22-16-7-10-21-11-8-16/h3,5-6,16,21-22,25H,4,7-14H2,1-2H3.

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

1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one is sourced from PubChem (CID 56722761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).