2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide

C26H27FN4O3 — CID 132773164

IUPAC2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1F)C(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C26H27FN4O3/c1-26(2,30-24(32)20-12-6-7-13-21(20)27)25(33)31-14-8-9-18(17-31)22-15-28-16-23(29-22)34-19-10-4-3-5-11-19/h3-7,10-13,15-16,18H,8-9,14,17H2,1-2H3,(H,30,32)
InChIKeyQMGQZWXXMYBPAS-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.32
Rot. Bonds6

About 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide

2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide (PubChem CID 132773164) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
PubChem CID132773164
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1F)C(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C26H27FN4O3/c1-26(2,30-24(32)20-12-6-7-13-21(20)27)25(33)31-14-8-9-18(17-31)22-15-28-16-23(29-22)34-19-10-4-3-5-11-19/h3-7,10-13,15-16,18H,8-9,14,17H2,1-2H3,(H,30,32)
InChIKeyQMGQZWXXMYBPAS-UHFFFAOYSA-N
XLogP4.32
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide (CID 132773164) is 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1F)C(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
The InChIKey is QMGQZWXXMYBPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-26(2,30-24(32)20-12-6-7-13-21(20)27)25(33)31-14-8-9-18(17-31)22-15-28-16-23(29-22)34-19-10-4-3-5-11-19/h3-7,10-13,15-16,18H,8-9,14,17H2,1-2H3,(H,30,32).
What are the key properties of 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide?
2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide is sourced from PubChem (CID 132773164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).