N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide

C22H27F3N4O — CID 95819622

IUPACN,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C22H27F3N4O/c1-3-29(4-2)21(30)15-28-10-8-16(9-11-28)19-13-26-14-20(27-19)17-6-5-7-18(12-17)22(23,24)25/h5-7,12-14,16H,3-4,8-11,15H2,1-2H3
InChIKeyDFPLBRSSYNFNGX-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.21
Rot. Bonds6

About N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide

N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide (PubChem CID 95819622) has the molecular formula C22H27F3N4O and a molecular weight of 420.48 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide
PubChem CID95819622
Molecular FormulaC22H27F3N4O
Molecular Weight420.48 g/mol
Exact Mass420.21
IUPAC NameN,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C22H27F3N4O/c1-3-29(4-2)21(30)15-28-10-8-16(9-11-28)19-13-26-14-20(27-19)17-6-5-7-18(12-17)22(23,24)25/h5-7,12-14,16H,3-4,8-11,15H2,1-2H3
InChIKeyDFPLBRSSYNFNGX-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819607
2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[3-(trifluoromethyl)phenyl]pyrazine
CID 95819638
1-piperidin-1-yl-2-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819609
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
2-phenyl-1-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819693
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819954
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
3-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazin-2-yl]benzoic acid
CID 175660609
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120298
2-hydroxy-1-[3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 155899913

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide (CID 95819622) is N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is DFPLBRSSYNFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O/c1-3-29(4-2)21(30)15-28-10-8-16(9-11-28)19-13-26-14-20(27-19)17-6-5-7-18(12-17)22(23,24)25/h5-7,12-14,16H,3-4,8-11,15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide?
N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95819622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).