1-(2-pentan-2-yloxyacetyl)piperidin-4-one

C12H21NO3 — CID 102982864

IUPAC1-(2-pentan-2-yloxyacetyl)piperidin-4-one
SMILESCCCC(C)OCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H21NO3/c1-3-4-10(2)16-9-12(15)13-7-5-11(14)6-8-13/h10H,3-9H2,1-2H3
InChIKeyQOFXJQLTONDLKN-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.38
Rot. Bonds5

About 1-(2-pentan-2-yloxyacetyl)piperidin-4-one

1-(2-pentan-2-yloxyacetyl)piperidin-4-one (PubChem CID 102982864) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2-pentan-2-yloxyacetyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-pentan-2-yloxyacetyl)piperidin-4-one
PubChem CID102982864
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2-pentan-2-yloxyacetyl)piperidin-4-one
SMILESCCCC(C)OCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C12H21NO3/c1-3-4-10(2)16-9-12(15)13-7-5-11(14)6-8-13/h10H,3-9H2,1-2H3
InChIKeyQOFXJQLTONDLKN-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pentan-2-yloxyacetyl)piperidin-4-one?
The IUPAC name of 1-(2-pentan-2-yloxyacetyl)piperidin-4-one (CID 102982864) is 1-(2-pentan-2-yloxyacetyl)piperidin-4-one.
What is the SMILES notation for 1-(2-pentan-2-yloxyacetyl)piperidin-4-one?
The canonical SMILES for 1-(2-pentan-2-yloxyacetyl)piperidin-4-one is CCCC(C)OCC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(2-pentan-2-yloxyacetyl)piperidin-4-one?
The InChIKey is QOFXJQLTONDLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-4-10(2)16-9-12(15)13-7-5-11(14)6-8-13/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-pentan-2-yloxyacetyl)piperidin-4-one?
1-(2-pentan-2-yloxyacetyl)piperidin-4-one has a molecular weight of 227.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentan-2-yloxyacetyl)piperidin-4-one is sourced from PubChem (CID 102982864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).