(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone

C9H16N2O2 — CID 107217621

IUPAC(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CC(O)C1
InChIInChI=1S/C9H16N2O2/c12-7-5-11(6-7)9(13)8-3-1-2-4-10-8/h7-8,10,12H,1-6H2/t8-/m0/s1
InChIKeySCLVHJXLZSQUNG-QMMMGPOBSA-N
MW184.24 g/mol
LogP-0.67
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone

(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 107217621) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID107217621
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1)N1CC(O)C1
InChIInChI=1S/C9H16N2O2/c12-7-5-11(6-7)9(13)8-3-1-2-4-10-8/h7-8,10,12H,1-6H2/t8-/m0/s1
InChIKeySCLVHJXLZSQUNG-QMMMGPOBSA-N
XLogP-0.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129414458
[3-(fluoromethyl)azetidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129496447
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-piperidin-2-ylmethanone
CID 119335393
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
2-[1-[(2S)-piperidine-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104914841
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
CID 121202172

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 107217621) is (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is SCLVHJXLZSQUNG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-7-5-11(6-7)9(13)8-3-1-2-4-10-8/h7-8,10,12H,1-6H2/t8-/m0/s1.
What are the key properties of (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 184.24 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 107217621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).