3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid

C24H42N4O4 — CID 19071122

About 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid

3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid (PubChem CID 19071122) has the molecular formula C24H42N4O4 and a molecular weight of 450.62 g/mol. Its IUPAC name is 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
• PubChem CID: 19071122
• Molecular Formula: C24H42N4O4
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.32
• IUPAC Name: 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid
• SMILES: O=C(O)CCN1CCN(CC2CN(CCCC3CCN(C4CCCC4)CC3)C(=O)O2)CC1
• InChI: InChI=1S/C24H42N4O4/c29-23(30)9-11-25-14-16-26(17-15-25)18-22-19-28(24(31)32-22)10-3-4-20-7-12-27(13-8-20)21-5-1-2-6-21/h20-22H,1-19H2,(H,29,30)
• InChIKey: SYDDUWYSYDUCEC-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 76.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?

The IUPAC name of 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid (CID 19071122) is 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid.

What is the SMILES notation for 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?

The canonical SMILES for 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC2CN(CCCC3CCN(C4CCCC4)CC3)C(=O)O2)CC1.

What is the InChIKey of 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?

The InChIKey is SYDDUWYSYDUCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O4/c29-23(30)9-11-25-14-16-26(17-15-25)18-22-19-28(24(31)32-22)10-3-4-20-7-12-27(13-8-20)21-5-1-2-6-21/h20-22H,1-19H2,(H,29,30).

What are the key properties of 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid?

3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid has a molecular weight of 450.62 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[[3-[3-(1-cyclopentylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 19071122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).