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

C14H25NO3 — CID 174505516

IUPAC[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)[C@H]1CCCCN1
InChIInChI=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
InChIKeyDAFBPQQKSFQQLM-SNVBAGLBSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds2

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 CID174505516
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)[C@H]1CCCCN1
InChIInChI=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
InChIKeyDAFBPQQKSFQQLM-SNVBAGLBSA-N
XLogP2.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).