2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone

C16H20F4N4O — CID 126822338

IUPAC2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCCC(C2CCCCN2c2nccnc2F)C1)C(F)(F)F
InChIInChI=1S/C16H20F4N4O/c17-13-14(22-7-6-21-13)24-9-2-1-5-12(24)11-4-3-8-23(10-11)15(25)16(18,19)20/h6-7,11-12H,1-5,8-10H2
InChIKeyOHCIRMTXPVZPOZ-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.78
Rot. Bonds2

About 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 126822338) has the molecular formula C16H20F4N4O and a molecular weight of 360.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone
PubChem CID126822338
Molecular FormulaC16H20F4N4O
Molecular Weight360.36 g/mol
Exact Mass360.16
IUPAC Name2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCCC(C2CCCCN2c2nccnc2F)C1)C(F)(F)F
InChIInChI=1S/C16H20F4N4O/c17-13-14(22-7-6-21-13)24-9-2-1-5-12(24)11-4-3-8-23(10-11)15(25)16(18,19)20/h6-7,11-12H,1-5,8-10H2
InChIKeyOHCIRMTXPVZPOZ-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-(1-acetylpiperidin-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 126835765
(4aS,8aR)-1-(3-chloropyrazin-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129413710
2,2,2-trifluoro-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344246
[2-(2-cyclopentylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383020
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105382933
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
1-(3-fluoropyrazin-2-yl)azetidine-3-carboxamide
CID 164648202
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazine-2-carboximidamide
CID 82751031
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 95013458
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
CID 103739512

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone (CID 126822338) is 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone is O=C(N1CCCC(C2CCCCN2c2nccnc2F)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is OHCIRMTXPVZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N4O/c17-13-14(22-7-6-21-13)24-9-2-1-5-12(24)11-4-3-8-23(10-11)15(25)16(18,19)20/h6-7,11-12H,1-5,8-10H2.
What are the key properties of 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 360.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-[1-(3-fluoropyrazin-2-yl)piperidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).