azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone

C10H18N2O2 — CID 129380965

IUPACazetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CNC2)CC[C@@H]1O
InChIInChI=1S/C10H18N2O2/c1-7-6-12(3-2-9(7)13)10(14)8-4-11-5-8/h7-9,11,13H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyVJISVRIRWBQWRP-APPZFPTMSA-N
MW198.27 g/mol
LogP-0.56
Rot. Bonds1

About azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone

azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone (PubChem CID 129380965) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
PubChem CID129380965
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameazetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CNC2)CC[C@@H]1O
InChIInChI=1S/C10H18N2O2/c1-7-6-12(3-2-9(7)13)10(14)8-4-11-5-8/h7-9,11,13H,2-6H2,1H3/t7-,9+/m1/s1
InChIKeyVJISVRIRWBQWRP-APPZFPTMSA-N
XLogP-0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 130747930
azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826278
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114678386
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-2-yl)methanone
CID 114501395
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
(4-hydroxy-3-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 114678294

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone (CID 129380965) is azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone is C[C@@H]1CN(C(=O)C2CNC2)CC[C@@H]1O.
What is the InChIKey of azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone?
The InChIKey is VJISVRIRWBQWRP-APPZFPTMSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7-6-12(3-2-9(7)13)10(14)8-4-11-5-8/h7-9,11,13H,2-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone?
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone has a molecular weight of 198.27 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 129380965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).