1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one

C12H20F2N2O — CID 77147832

IUPAC1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(CCC(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C12H20F2N2O/c1-10-3-2-5-15(7-10)6-4-11(17)16-8-12(13,14)9-16/h10H,2-9H2,1H3
InChIKeyJHPWDZPGKYBDFS-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.59
Rot. Bonds3

About 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one

1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 77147832) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID77147832
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(CCC(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C12H20F2N2O/c1-10-3-2-5-15(7-10)6-4-11(17)16-8-12(13,14)9-16/h10H,2-9H2,1H3
InChIKeyJHPWDZPGKYBDFS-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124291756
3-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-N,N-dimethylpropanamide
CID 129349409
2-Methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 53513580
2,2-difluoro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 59475901
1-tert-butyl-N,N-diethyl-4,4-difluoropiperidine-3-carboxamide
CID 59788276
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60716103
1-(3,3-difluoropyrrolidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 66580672
1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 66580841
1-(3,3-Difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one
CID 66581144
N,N,1-triethyl-4,4-difluoropiperidine-3-carboxamide
CID 67579433
1-(3,3-difluoroazetidin-1-yl)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 68267611
1-(3,3-difluoropyrrolidin-1-yl)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 68267614

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one (CID 77147832) is 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(CCC(=O)N2CC(F)(F)C2)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is JHPWDZPGKYBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-10-3-2-5-15(7-10)6-4-11(17)16-8-12(13,14)9-16/h10H,2-9H2,1H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one?
1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 246.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-3-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 77147832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).