1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one

C10H18F2N2O — CID 115408790

IUPAC1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(CC(F)F)C1=O
InChIInChI=1S/C10H18F2N2O/c1-2-5-13-8-4-3-6-14(10(8)15)7-9(11)12/h8-9,13H,2-7H2,1H3
InChIKeyDAZPVSOLEKXRMP-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.24
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one

1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one (PubChem CID 115408790) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
PubChem CID115408790
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(CC(F)F)C1=O
InChIInChI=1S/C10H18F2N2O/c1-2-5-13-8-4-3-6-14(10(8)15)7-9(11)12/h8-9,13H,2-7H2,1H3
InChIKeyDAZPVSOLEKXRMP-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
1-(4-methylsulfanylbutyl)-3-(propylamino)piperidin-2-one
CID 113488293
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one
CID 65245379
1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
CID 106039918
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
CID 114100312
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one (CID 115408790) is 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(CC(F)F)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one?
The InChIKey is DAZPVSOLEKXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-2-5-13-8-4-3-6-14(10(8)15)7-9(11)12/h8-9,13H,2-7H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one?
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one has a molecular weight of 220.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 115408790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).