3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one

C13H24N2O3 — CID 45197758

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCCC2)C1=O
InChIInChI=1S/C13H24N2O3/c1-18-10-9-15-8-4-5-13(17,12(15)16)11-14-6-2-3-7-14/h17H,2-11H2,1H3
InChIKeyRCQNZZKWMGYKPF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.08
Rot. Bonds5

About 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one (PubChem CID 45197758) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one
PubChem CID45197758
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCCC2)C1=O
InChIInChI=1S/C13H24N2O3/c1-18-10-9-15-8-4-5-13(17,12(15)16)11-14-6-2-3-7-14/h17H,2-11H2,1H3
InChIKeyRCQNZZKWMGYKPF-UHFFFAOYSA-N
XLogP0.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one (CID 45197758) is 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one is COCCN1CCCC(O)(CN2CCCC2)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
The InChIKey is RCQNZZKWMGYKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-10-9-15-8-4-5-13(17,12(15)16)11-14-6-2-3-7-14/h17H,2-11H2,1H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45197758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).