2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C16H20F3N3O2S — CID 110289816

IUPAC2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C16H20F3N3O2S/c17-16(18,19)15(24)22-8-3-12(4-9-22)14(23)21-6-1-11(2-7-21)13-20-5-10-25-13/h5,10-12H,1-4,6-9H2
InChIKeyACHFMPKOQDSNTI-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.65
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110289816) has the molecular formula C16H20F3N3O2S and a molecular weight of 375.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110289816
Molecular FormulaC16H20F3N3O2S
Molecular Weight375.42 g/mol
Exact Mass375.12
IUPAC Name2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESO=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C16H20F3N3O2S/c17-16(18,19)15(24)22-8-3-12(4-9-22)14(23)21-6-1-11(2-7-21)13-20-5-10-25-13/h5,10-12H,1-4,6-9H2
InChIKeyACHFMPKOQDSNTI-UHFFFAOYSA-N
XLogP2.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
3-oxo-3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 136521667
[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 72134084
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75388046
[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95770071
[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95770072
(3R)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241093
(3S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97241094
[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100850181
(4,4-Difluorocyclohexyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110106766
(4,4-Difluorocyclohexyl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114340
N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110289669

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110289816) is 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCC(c2nccs2)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is ACHFMPKOQDSNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2S/c17-16(18,19)15(24)22-8-3-12(4-9-22)14(23)21-6-1-11(2-7-21)13-20-5-10-25-13/h5,10-12H,1-4,6-9H2.
What are the key properties of 2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 375.42 g/mol, XLogP of 2.65, 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-[4-[4-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110289816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).