2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide

C16H22FN3O — CID 59570513

IUPAC2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1C(C(N)=O)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C16H22FN3O/c1-11-9-12(17)4-5-14(11)15(16(18)21)20-8-7-19-6-2-3-13(19)10-20/h4-5,9,13,15H,2-3,6-8,10H2,1H3,(H2,18,21)/t13-,15?/m1/s1
InChIKeyHERMWUVKZOCFCA-AFYYWNPRSA-N
MW291.37 g/mol
LogP1.44
Rot. Bonds3

About 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide

2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 59570513) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide
PubChem CID59570513
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)ccc1C(C(N)=O)N1CCN2CCC[C@@H]2C1
InChIInChI=1S/C16H22FN3O/c1-11-9-12(17)4-5-14(11)15(16(18)21)20-8-7-19-6-2-3-13(19)10-20/h4-5,9,13,15H,2-3,6-8,10H2,1H3,(H2,18,21)/t13-,15?/m1/s1
InChIKeyHERMWUVKZOCFCA-AFYYWNPRSA-N
XLogP1.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide (CID 59570513) is 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1C(C(N)=O)N1CCN2CCC[C@@H]2C1.
What is the InChIKey of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is HERMWUVKZOCFCA-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11-9-12(17)4-5-14(11)15(16(18)21)20-8-7-19-6-2-3-13(19)10-20/h4-5,9,13,15H,2-3,6-8,10H2,1H3,(H2,18,21)/t13-,15?/m1/s1.
What are the key properties of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide?
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 291.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 59570513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).