2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one

C13H23NO2 — CID 79549033

IUPAC2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCCC1CC(C)=O
InChIInChI=1S/C13H23NO2/c1-4-10(2)13(16)14-8-6-5-7-12(14)9-11(3)15/h10,12H,4-9H2,1-3H3
InChIKeyXDCSWPMGUFFGIN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one

2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one (PubChem CID 79549033) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
PubChem CID79549033
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCCC1CC(C)=O
InChIInChI=1S/C13H23NO2/c1-4-10(2)13(16)14-8-6-5-7-12(14)9-11(3)15/h10,12H,4-9H2,1-3H3
InChIKeyXDCSWPMGUFFGIN-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one (CID 79549033) is 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCCC1CC(C)=O.
What is the InChIKey of 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
The InChIKey is XDCSWPMGUFFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-10(2)13(16)14-8-6-5-7-12(14)9-11(3)15/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one has a molecular weight of 225.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 79549033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).