[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone

C11H19NO2 — CID 124675210

IUPAC[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCOC1)[C@H]1CCCCN1
InChIInChI=1S/C11H19NO2/c13-11(9-4-3-7-14-8-9)10-5-1-2-6-12-10/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKeyJKQTUNSRTSWKEB-VHSXEESVSA-N
MW197.28 g/mol
LogP1.12
Rot. Bonds2

About [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone

[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 124675210) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID124675210
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCOC1)[C@H]1CCCCN1
InChIInChI=1S/C11H19NO2/c13-11(9-4-3-7-14-8-9)10-5-1-2-6-12-10/h9-10,12H,1-8H2/t9-,10+/m0/s1
InChIKeyJKQTUNSRTSWKEB-VHSXEESVSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(2S)-piperidin-2-yl]methanone
CID 174971247
(2S)-N-(oxan-3-yl)piperidine-2-carboxamide
CID 103810399
(2-methylpiperidin-3-yl)-(oxan-3-yl)methanone
CID 130892569
1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
CID 107138340
[(3R)-oxan-3-yl]-[(3R)-piperidin-3-yl]methanone
CID 124675211
oxan-2-yl(oxan-3-yl)methanone
CID 107138647
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
cycloheptyl(oxolan-3-yl)methanone
CID 65399453
(1-methylpiperidin-3-yl)-piperidin-2-ylmethanone
CID 116916943
1,4-diazabicyclo[2.2.2]octan-2-yl(oxan-3-yl)methanone
CID 107135954
(3R)-oxane-3-carboxylic acid
CID 42554318
oxane-3-carboxamide
CID 22714381

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone (CID 124675210) is [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCOC1)[C@H]1CCCCN1.
What is the InChIKey of [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is JKQTUNSRTSWKEB-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(9-4-3-7-14-8-9)10-5-1-2-6-12-10/h9-10,12H,1-8H2/t9-,10+/m0/s1.
What are the key properties of [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone?
[(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 197.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxan-3-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 124675210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).