ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone

C17H31FN2O2 — CID 168882699

IUPACethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone
SMILESCC.CCN1CCC(C(=O)N2CCC(F)(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25FN2O2.C2H6/c1-3-17-8-4-13(5-9-17)14(20)18-10-6-15(16,7-11-18)12(2)19;1-2/h13H,3-11H2,1-2H3;1-2H3
InChIKeyMPWMTSJKSARHDE-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.66
Rot. Bonds3

About ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone

ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone (PubChem CID 168882699) has the molecular formula C17H31FN2O2 and a molecular weight of 314.44 g/mol. Its IUPAC name is ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone
PubChem CID168882699
Molecular FormulaC17H31FN2O2
Molecular Weight314.44 g/mol
Exact Mass314.24
IUPAC Nameethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone
SMILESCC.CCN1CCC(C(=O)N2CCC(F)(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25FN2O2.C2H6/c1-3-17-8-4-13(5-9-17)14(20)18-10-6-15(16,7-11-18)12(2)19;1-2/h13H,3-11H2,1-2H3;1-2H3
InChIKeyMPWMTSJKSARHDE-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-3,3-difluoropiperidin-4-yl]ethanone
CID 168882457
(1-ethylpiperidin-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 167010736
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3153510
[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 86283762
(1-ethylpiperidin-4-yl)-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methanone
CID 97148086
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
1-ethylpiperidine-4-carboxylate
CID 22406282
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
N-cyclopentyl-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145772
(4-ethylpiperazin-1-yl)-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113003728
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
(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)-4-fluoropiperidin-4-yl]ethanone?
The IUPAC name of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone (CID 168882699) is ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone.
What is the SMILES notation for ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone?
The canonical SMILES for ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone is CC.CCN1CCC(C(=O)N2CCC(F)(C(C)=O)CC2)CC1.
What is the InChIKey of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone?
The InChIKey is MPWMTSJKSARHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2.C2H6/c1-3-17-8-4-13(5-9-17)14(20)18-10-6-15(16,7-11-18)12(2)19;1-2/h13H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone?
ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone has a molecular weight of 314.44 g/mol, XLogP of 2.66, 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)-4-fluoropiperidin-4-yl]ethanone is sourced from PubChem (CID 168882699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).