ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

C17H32F2N2O2 — CID 156799313

IUPACethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCC.CCC1CCN(CC(=O)N2CCC(OC)CC2)CC1(F)F
InChIInChI=1S/C15H26F2N2O2.C2H6/c1-3-12-4-7-18(11-15(12,16)17)10-14(20)19-8-5-13(21-2)6-9-19;1-2/h12-13H,3-11H2,1-2H3;1-2H3
InChIKeyHHVMKLUDXOBDNV-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.02
Rot. Bonds4

About ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 156799313) has the molecular formula C17H32F2N2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID156799313
Molecular FormulaC17H32F2N2O2
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC Nameethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCC.CCC1CCN(CC(=O)N2CCC(OC)CC2)CC1(F)F
InChIInChI=1S/C15H26F2N2O2.C2H6/c1-3-12-4-7-18(11-15(12,16)17)10-14(20)19-8-5-13(21-2)6-9-19;1-2/h12-13H,3-11H2,1-2H3;1-2H3
InChIKeyHHVMKLUDXOBDNV-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxypiperidin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78898220
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
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 156707400
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 156799120
1-[4-[(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372729
1-[4-[2-[3-Fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372730
2-(3,3-Difluoro-4-propan-2-ylpiperidin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 172511219
1-[4-[2-[3-Fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 174351181
2-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78898292
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78903326
N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78903328

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 156799313) is ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is CC.CCC1CCN(CC(=O)N2CCC(OC)CC2)CC1(F)F.
What is the InChIKey of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is HHVMKLUDXOBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2.C2H6/c1-3-12-4-7-18(11-15(12,16)17)10-14(20)19-8-5-13(21-2)6-9-19;1-2/h12-13H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 334.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 156799313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).