[1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate

C12H21NO3 — CID 53016380

IUPAC[1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-9(14)16-10-5-7-13(8-6-10)11(15)12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyUWUVEBBJROQSQT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds1

About [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate

[1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate (PubChem CID 53016380) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate
PubChem CID53016380
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H21NO3/c1-9(14)16-10-5-7-13(8-6-10)11(15)12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyUWUVEBBJROQSQT-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate?
The IUPAC name of [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate (CID 53016380) is [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate.
What is the SMILES notation for [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate?
The canonical SMILES for [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate is CC(=O)OC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate?
The InChIKey is UWUVEBBJROQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(14)16-10-5-7-13(8-6-10)11(15)12(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate?
[1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropanoyl)piperidin-4-yl] acetate is sourced from PubChem (CID 53016380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).