[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate

C₁₄H₂₅NO₃ — CID 174505516

About [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate

[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate (PubChem CID 174505516) has the molecular formula C₁₄H₂₅NO₃ and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
• PubChem CID: 174505516
• Molecular Formula: C₁₄H₂₅NO₃
• Molecular Weight: 255.36 g/mol
• Exact Mass: 255.18
• IUPAC Name: [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
• SMILES: CC(C)(C)C(=O)OC(=O)C(C)(C)[C@H]1CCCCN1
• InChI: InChI=1S/C14H25NO3/c1-13(2,3)11(16)18-12(17)14(4,5)10-8-6-7-9-15-10/h10,15H,6-9H2,1-5H3/t10-/m1/s1
• InChIKey: DAFBPQQKSFQQLM-SNVBAGLBSA-N
• XLogP: 2.27
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate?

The IUPAC name of [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate (CID 174505516) is [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate?

The canonical SMILES for [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(=O)C(C)(C)[C@H]1CCCCN1.

What is the InChIKey of [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate?

The InChIKey is DAFBPQQKSFQQLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)11(16)18-12(17)14(4,5)10-8-6-7-9-15-10/h10,15H,6-9H2,1-5H3/t10-/m1/s1.

What are the key properties of [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate?

[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate has a molecular weight of 255.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174505516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174505516 — identifiers, structure, computed properties (public domain)

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