(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone

C13H22N2O2 — CID 121202218

IUPAC(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
SMILESCOC1C2CC1CN(C(=O)C1CCCCN1)C2
InChIInChI=1S/C13H22N2O2/c1-17-12-9-6-10(12)8-15(7-9)13(16)11-4-2-3-5-14-11/h9-12,14H,2-8H2,1H3
InChIKeySBXJOLZHNJOZGE-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.62
Rot. Bonds2

About (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone

(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone (PubChem CID 121202218) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
PubChem CID121202218
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone
SMILESCOC1C2CC1CN(C(=O)C1CCCCN1)C2
InChIInChI=1S/C13H22N2O2/c1-17-12-9-6-10(12)8-15(7-9)13(16)11-4-2-3-5-14-11/h9-12,14H,2-8H2,1H3
InChIKeySBXJOLZHNJOZGE-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(piperidin-2-yl)methanone
CID 119326244
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
CID 121202172
[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129414461
(3-methoxyazetidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129362673
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119326390
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
CID 119335393
(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
CID 102957446
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104914841

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone?
The IUPAC name of (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone (CID 121202218) is (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone is COC1C2CC1CN(C(=O)C1CCCCN1)C2.
What is the InChIKey of (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone?
The InChIKey is SBXJOLZHNJOZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-17-12-9-6-10(12)8-15(7-9)13(16)11-4-2-3-5-14-11/h9-12,14H,2-8H2,1H3.
What are the key properties of (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone?
(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone has a molecular weight of 238.33 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 121202218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).