3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone

C11H18N2O — CID 104921213

IUPAC3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CC=CCC1
InChIInChI=1S/C11H18N2O/c14-11(10-6-2-3-7-12-10)13-8-4-1-5-9-13/h1,4,10,12H,2-3,5-9H2/t10-/m1/s1
InChIKeyOSAZSLXYZGZBSV-SNVBAGLBSA-N
MW194.28 g/mol
LogP0.92
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone

3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone (PubChem CID 104921213) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone
PubChem CID104921213
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CC=CCC1
InChIInChI=1S/C11H18N2O/c14-11(10-6-2-3-7-12-10)13-8-4-1-5-9-13/h1,4,10,12H,2-3,5-9H2/t10-/m1/s1
InChIKeyOSAZSLXYZGZBSV-SNVBAGLBSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
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
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
[(2R)-piperidin-2-yl]-thiomorpholin-4-ylmethanone
CID 28787415

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone (CID 104921213) is 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone?
The InChIKey is OSAZSLXYZGZBSV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(10-6-2-3-7-12-10)13-8-4-1-5-9-13/h1,4,10,12H,2-3,5-9H2/t10-/m1/s1.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone has a molecular weight of 194.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 104921213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).