azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone

C11H18F2N2O — CID 129495393

IUPACazetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
SMILESCC(F)(F)[C@H]1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C11H18F2N2O/c1-11(12,13)9-3-2-4-15(7-9)10(16)8-5-14-6-8/h8-9,14H,2-7H2,1H3/t9-/m0/s1
InChIKeyGVTGFVPNJOWBTP-VIFPVBQESA-N
MW232.27 g/mol
LogP1.10
Rot. Bonds2

About azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone

azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone (PubChem CID 129495393) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
PubChem CID129495393
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Nameazetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone
SMILESCC(F)(F)[C@H]1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C11H18F2N2O/c1-11(12,13)9-3-2-4-15(7-9)10(16)8-5-14-6-8/h8-9,14H,2-7H2,1H3/t9-/m0/s1
InChIKeyGVTGFVPNJOWBTP-VIFPVBQESA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-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

2-[1-(azetidine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197354
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198528
(E)-4-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 129494795
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 129496940
pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
(4-tert-butylazepan-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119787780
azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone (CID 129495393) is azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone is CC(F)(F)[C@H]1CCCN(C(=O)C2CNC2)C1.
What is the InChIKey of azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone?
The InChIKey is GVTGFVPNJOWBTP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-11(12,13)9-3-2-4-15(7-9)10(16)8-5-14-6-8/h8-9,14H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone?
azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone has a molecular weight of 232.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129495393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).