N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide

C15H18F6N3O+ — CID 7123651

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC([NH+]1CCCC[C@H]1c1cccnc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H17F6N3O/c1-10(25)23-13(14(16,17)18,15(19,20)21)24-8-3-2-6-12(24)11-5-4-7-22-9-11/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,23,25)/p+1/t12-/m0/s1
InChIKeyIXZAQQIPUHGRJJ-LBPRGKRZSA-O
MW370.32 g/mol
LogP2.15
Rot. Bonds3

About N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide

N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide (PubChem CID 7123651) has the molecular formula C15H18F6N3O+ and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide
PubChem CID7123651
Molecular FormulaC15H18F6N3O+
Molecular Weight370.32 g/mol
Exact Mass370.13
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC([NH+]1CCCC[C@H]1c1cccnc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H17F6N3O/c1-10(25)23-13(14(16,17)18,15(19,20)21)24-8-3-2-6-12(24)11-5-4-7-22-9-11/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,23,25)/p+1/t12-/m0/s1
InChIKeyIXZAQQIPUHGRJJ-LBPRGKRZSA-O
XLogP2.15
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[1,1,1,3,3,3-hexafluoro-2-(2-pyridin-3-ylpiperidin-1-ium-1-yl)propan-2-yl]benzamide
CID 4605251
1-phenyl-2-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanone
CID 6953798
[(3S)-3-methyl-6-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] acetate
CID 7327868
N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide
CID 149457997
[(1R)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl] acetate
CID 11897713
1,1-diphenyl-4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-yn-1-ol
CID 7069901
(4S)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]non-2-yn-4-ol
CID 11870953
3-[(2R)-1-hept-2-ynylpiperidin-1-ium-2-yl]pyridine
CID 7069756
2-chloro-N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-yl]benzamide
CID 28985128
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
1-[3-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]prop-1-ynyl]cyclopentan-1-ol
CID 7327774
1-[3-(2-pyridin-3-ylpiperidin-1-ium-1-yl)prop-1-ynyl]cyclohexan-1-ol
CID 4286975

Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide (CID 7123651) is N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide is CC(=O)NC([NH+]1CCCC[C@H]1c1cccnc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide?
The InChIKey is IXZAQQIPUHGRJJ-LBPRGKRZSA-O. The full InChI is InChI=1S/C15H17F6N3O/c1-10(25)23-13(14(16,17)18,15(19,20)21)24-8-3-2-6-12(24)11-5-4-7-22-9-11/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,23,25)/p+1/t12-/m0/s1.
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide has a molecular weight of 370.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 7123651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).