2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one

C13H24N2O2 — CID 62341258

IUPAC2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(OCC1CCCCN1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O2/c1-11(13(16)15-8-4-5-9-15)17-10-12-6-2-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyJYDZTGVTUUCFPY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 62341258) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID62341258
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(OCC1CCCCN1)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O2/c1-11(13(16)15-8-4-5-9-15)17-10-12-6-2-3-7-14-12/h11-12,14H,2-10H2,1H3
InChIKeyJYDZTGVTUUCFPY-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 62341258) is 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one is CC(OCC1CCCCN1)C(=O)N1CCCC1.
What is the InChIKey of 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JYDZTGVTUUCFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(13(16)15-8-4-5-9-15)17-10-12-6-2-3-7-14-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 62341258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).