ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone

C17H30F2N2O2 — CID 168882457

IUPACethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone
SMILESCC.CCN1CCC(C(=O)N2CCC(C(C)=O)C(F)(F)C2)CC1
InChIInChI=1S/C15H24F2N2O2.C2H6/c1-3-18-7-4-12(5-8-18)14(21)19-9-6-13(11(2)20)15(16,17)10-19;1-2/h12-13H,3-10H2,1-2H3;1-2H3
InChIKeyPPTANHDUIQFGPC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.82
Rot. Bonds3

About ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone

ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone (PubChem CID 168882457) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone
PubChem CID168882457
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Nameethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone
SMILESCC.CCN1CCC(C(=O)N2CCC(C(C)=O)C(F)(F)C2)CC1
InChIInChI=1S/C15H24F2N2O2.C2H6/c1-3-18-7-4-12(5-8-18)14(21)19-9-6-13(11(2)20)15(16,17)10-19;1-2/h12-13H,3-10H2,1-2H3;1-2H3
InChIKeyPPTANHDUIQFGPC-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone
CID 168882699
[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 86283762
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
CID 168882155
(1-ethylpiperidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 97148086
1-ethylpiperidine-4-carboxylate
CID 22406282
3,3-difluoropiperidine-1,4-dicarboxylic acid
CID 144706599
cyclopentyl-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)methanone
CID 162278259
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 113003863
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone?
The IUPAC name of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone (CID 168882457) is ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone.
What is the SMILES notation for ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone?
The canonical SMILES for ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone is CC.CCN1CCC(C(=O)N2CCC(C(C)=O)C(F)(F)C2)CC1.
What is the InChIKey of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone?
The InChIKey is PPTANHDUIQFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2.C2H6/c1-3-18-7-4-12(5-8-18)14(21)19-9-6-13(11(2)20)15(16,17)10-19;1-2/h12-13H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone?
ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone is sourced from PubChem (CID 168882457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).