1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone

C24H24N4O2 — CID 153252209

IUPAC1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone
SMILESNc1nccnc1C(=O)Cc1cc(C(=O)c2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C24H24N4O2/c25-24-22(26-11-12-27-24)21(29)16-19-15-18(23(30)17-7-3-1-4-8-17)9-10-20(19)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H2,25,27)
InChIKeyWTODKAINJYEJSI-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.71
Rot. Bonds6

About 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone

1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone (PubChem CID 153252209) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone
PubChem CID153252209
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone
SMILESNc1nccnc1C(=O)Cc1cc(C(=O)c2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C24H24N4O2/c25-24-22(26-11-12-27-24)21(29)16-19-15-18(23(30)17-7-3-1-4-8-17)9-10-20(19)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H2,25,27)
InChIKeyWTODKAINJYEJSI-UHFFFAOYSA-N
XLogP3.71
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone (CID 153252209) is 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone is Nc1nccnc1C(=O)Cc1cc(C(=O)c2ccccc2)ccc1N1CCCCC1.
What is the InChIKey of 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone?
The InChIKey is WTODKAINJYEJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c25-24-22(26-11-12-27-24)21(29)16-19-15-18(23(30)17-7-3-1-4-8-17)9-10-20(19)28-13-5-2-6-14-28/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H2,25,27).
What are the key properties of 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone?
1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone has a molecular weight of 400.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 153252209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).