2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

C16H28F2N2O2 — CID 156799120

IUPAC2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C16H28F2N2O2/c1-12(2)14-6-7-19(11-16(14,17)18)10-15(21)20-8-4-13(22-3)5-9-20/h12-14H,4-11H2,1-3H3
InChIKeyWHINKTPJHLZKSX-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.24
Rot. Bonds4

About 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 156799120) has the molecular formula C16H28F2N2O2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID156799120
Molecular FormulaC16H28F2N2O2
Molecular Weight318.41 g/mol
Exact Mass318.21
IUPAC Name2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C16H28F2N2O2/c1-12(2)14-6-7-19(11-16(14,17)18)10-15(21)20-8-4-13(22-3)5-9-20/h12-14H,4-11H2,1-3H3
InChIKeyWHINKTPJHLZKSX-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
1-[4-[2-(3-Fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-ethoxypyrrolidin-1-yl)ethanone
CID 156799174
Ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 156799313
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(3-propan-2-yloxypyrrolidin-1-yl)ethanone
CID 172511134
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 172511219
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-[3-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 172511233
2-[4-(2-Methoxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 53536741
1-[4-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 60416165
2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60505227
2-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78898292
Methyl 4-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 78900343

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 156799120) is 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)CN2CCC(C(C)C)C(F)(F)C2)CC1.
What is the InChIKey of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is WHINKTPJHLZKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O2/c1-12(2)14-6-7-19(11-16(14,17)18)10-15(21)20-8-4-13(22-3)5-9-20/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 318.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 156799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).