[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

C12H22N2O3 — CID 129414458

IUPAC[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCO[C@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1OC
InChIInChI=1S/C12H22N2O3/c1-16-10-7-14(8-11(10)17-2)12(15)9-5-3-4-6-13-9/h9-11,13H,3-8H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyIIDPJXKYMZFKFB-MXWKQRLJSA-N
MW242.32 g/mol
LogP0.00
Rot. Bonds3

About [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 129414458) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID129414458
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCO[C@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1OC
InChIInChI=1S/C12H22N2O3/c1-16-10-7-14(8-11(10)17-2)12(15)9-5-3-4-6-13-9/h9-11,13H,3-8H2,1-2H3/t9-,10-,11+/m1/s1
InChIKeyIIDPJXKYMZFKFB-MXWKQRLJSA-N
XLogP0.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
CID 102957446
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
CID 121202218
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
CID 119335393
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104914841
[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129496447
azepan-1-yl(azepan-2-yl)methanone
CID 64562203

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 129414458) is [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is CO[C@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1OC.
What is the InChIKey of [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is IIDPJXKYMZFKFB-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-10-7-14(8-11(10)17-2)12(15)9-5-3-4-6-13-9/h9-11,13H,3-8H2,1-2H3/t9-,10-,11+/m1/s1.
What are the key properties of [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 129414458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).