4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one

C19H27N3O5 — CID 95230937

About 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one

4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one (PubChem CID 95230937) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
• PubChem CID: 95230937
• Molecular Formula: C19H27N3O5
• Molecular Weight: 377.44 g/mol
• Exact Mass: 377.20
• IUPAC Name: 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one
• SMILES: COc1cccc(CN2CCC[C@](O)(CN3CCNC(=O)C3)C2=O)c1OC
• InChI: InChI=1S/C19H27N3O5/c1-26-15-6-3-5-14(17(15)27-2)11-22-9-4-7-19(25,18(22)24)13-21-10-8-20-16(23)12-21/h3,5-6,25H,4,7-13H2,1-2H3,(H,20,23)/t19-/m0/s1
• InChIKey: CZIACFCITFOXAU-IBGZPJMESA-N
• XLogP: -0.01
• TPSA: 91.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.44
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one?

The IUPAC name of 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one (CID 95230937) is 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one.

What is the SMILES notation for 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one?

The canonical SMILES for 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one is COc1cccc(CN2CCC[C@](O)(CN3CCNC(=O)C3)C2=O)c1OC.

What is the InChIKey of 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one?

The InChIKey is CZIACFCITFOXAU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O5/c1-26-15-6-3-5-14(17(15)27-2)11-22-9-4-7-19(25,18(22)24)13-21-10-8-20-16(23)12-21/h3,5-6,25H,4,7-13H2,1-2H3,(H,20,23)/t19-/m0/s1.

What are the key properties of 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one?

4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one has a molecular weight of 377.44 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3S)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 95230937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).