2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H21F3N4O2 — CID 163357417

IUPAC2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(COc2cnccn2)C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)15-4-1-5-16(9-15)25-17(27)12-26-8-2-3-14(11-26)13-28-18-10-23-6-7-24-18/h1,4-7,9-10,14H,2-3,8,11-13H2,(H,25,27)
InChIKeyBMKAQGUHGJTTLC-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.22
Rot. Bonds6

About 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163357417) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID163357417
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(COc2cnccn2)C1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)15-4-1-5-16(9-15)25-17(27)12-26-8-2-3-14(11-26)13-28-18-10-23-6-7-24-18/h1,4-7,9-10,14H,2-3,8,11-13H2,(H,25,27)
InChIKeyBMKAQGUHGJTTLC-UHFFFAOYSA-N
XLogP3.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357192
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 163357417) is 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCC(COc2cnccn2)C1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BMKAQGUHGJTTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)15-4-1-5-16(9-15)25-17(27)12-26-8-2-3-14(11-26)13-28-18-10-23-6-7-24-18/h1,4-7,9-10,14H,2-3,8,11-13H2,(H,25,27).
What are the key properties of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163357417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).