(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate

C14H25NO3 — CID 174519514

IUPAC(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)C1CCNCC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)11(16)18-12(17)14(4,5)10-6-8-15-9-7-10/h10,15H,6-9H2,1-5H3
InChIKeyIKWBXNRBJZIKJX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds2

About (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate

(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate (PubChem CID 174519514) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate
PubChem CID174519514
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(=O)C(C)(C)C1CCNCC1
InChIInChI=1S/C14H25NO3/c1-13(2,3)11(16)18-12(17)14(4,5)10-6-8-15-9-7-10/h10,15H,6-9H2,1-5H3
InChIKeyIKWBXNRBJZIKJX-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate (CID 174519514) is (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(=O)C(C)(C)C1CCNCC1.
What is the InChIKey of (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate?
The InChIKey is IKWBXNRBJZIKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)11(16)18-12(17)14(4,5)10-6-8-15-9-7-10/h10,15H,6-9H2,1-5H3.
What are the key properties of (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate?
(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate has a molecular weight of 255.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174519514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).