[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C12H22N2O2 — CID 129359602

IUPAC[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCOC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c1-16-9-10-5-2-3-8-14(10)12(15)11-6-4-7-13-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXQIWULWQGUXDEA-QWRGUYRKSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds3

About [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 129359602) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID129359602
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCOC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c1-16-9-10-5-2-3-8-14(10)12(15)11-6-4-7-13-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyXQIWULWQGUXDEA-QWRGUYRKSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methoxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 121201480
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
(2-propylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 83052563
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
cyclohexyl-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110869949
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 129359602) is [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is COC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is XQIWULWQGUXDEA-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-9-10-5-2-3-8-14(10)12(15)11-6-4-7-13-11/h10-11,13H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 129359602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).