(6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one

C13H24N2O3 — CID 46205092

IUPAC(6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESCOC[C@@H]1CCCN1N1C(=O)CCC[C@@H]1CCO
InChIInChI=1S/C13H24N2O3/c1-18-10-12-5-3-8-14(12)15-11(7-9-16)4-2-6-13(15)17/h11-12,16H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeyKDLYDLYXEHJRLL-NEPJUHHUSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds5

About (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one

(6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 46205092) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID46205092
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one
SMILESCOC[C@@H]1CCCN1N1C(=O)CCC[C@@H]1CCO
InChIInChI=1S/C13H24N2O3/c1-18-10-12-5-3-8-14(12)15-11(7-9-16)4-2-6-13(15)17/h11-12,16H,2-10H2,1H3/t11-,12+/m1/s1
InChIKeyKDLYDLYXEHJRLL-NEPJUHHUSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one (CID 46205092) is (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one is COC[C@@H]1CCCN1N1C(=O)CCC[C@@H]1CCO.
What is the InChIKey of (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is KDLYDLYXEHJRLL-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-10-12-5-3-8-14(12)15-11(7-9-16)4-2-6-13(15)17/h11-12,16H,2-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one?
(6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-hydroxyethyl)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 46205092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).