(6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

C22H31N3O5 — CID 155507784

IUPAC(6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCCCNC(=O)[C@H]1C[C@H]2CN(C(=O)CCOC)CC(=O)N2[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H31N3O5/c1-4-10-23-22(28)18-12-16-13-24(19(26)9-11-29-2)14-20(27)25(16)21(18)15-5-7-17(30-3)8-6-15/h5-8,16,18,21H,4,9-14H2,1-3H3,(H,23,28)/t16-,18-,21-/m0/s1
InChIKeyLSGZQYLQHVABLI-MDKPJZGXSA-N
MW417.51 g/mol
LogP1.36
Rot. Bonds8

About (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide

(6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 155507784) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID155507784
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name(6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCCCNC(=O)[C@H]1C[C@H]2CN(C(=O)CCOC)CC(=O)N2[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C22H31N3O5/c1-4-10-23-22(28)18-12-16-13-24(19(26)9-11-29-2)14-20(27)25(16)21(18)15-5-7-17(30-3)8-6-15/h5-8,16,18,21H,4,9-14H2,1-3H3,(H,23,28)/t16-,18-,21-/m0/s1
InChIKeyLSGZQYLQHVABLI-MDKPJZGXSA-N
XLogP1.36
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide (CID 155507784) is (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is CCCNC(=O)[C@H]1C[C@H]2CN(C(=O)CCOC)CC(=O)N2[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is LSGZQYLQHVABLI-MDKPJZGXSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-4-10-23-22(28)18-12-16-13-24(19(26)9-11-29-2)14-20(27)25(16)21(18)15-5-7-17(30-3)8-6-15/h5-8,16,18,21H,4,9-14H2,1-3H3,(H,23,28)/t16-,18-,21-/m0/s1.
What are the key properties of (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide?
(6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8aS)-6-(4-methoxyphenyl)-2-(3-methoxypropanoyl)-4-oxo-N-propyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 155507784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).