1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one

C18H29N3O2 — CID 91923644

IUPAC1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESO=C1NCCN2CC3(CCN(C(=O)CC4CCCC4)CC3)CC12
InChIInChI=1S/C18H29N3O2/c22-16(11-14-3-1-2-4-14)20-8-5-18(6-9-20)12-15-17(23)19-7-10-21(15)13-18/h14-15H,1-13H2,(H,19,23)
InChIKeyCODBOJZBIXNKDO-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.38
Rot. Bonds2

About 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one

1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (PubChem CID 91923644) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
PubChem CID91923644
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESO=C1NCCN2CC3(CCN(C(=O)CC4CCCC4)CC3)CC12
InChIInChI=1S/C18H29N3O2/c22-16(11-14-3-1-2-4-14)20-8-5-18(6-9-20)12-15-17(23)19-7-10-21(15)13-18/h14-15H,1-13H2,(H,19,23)
InChIKeyCODBOJZBIXNKDO-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The IUPAC name of 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (CID 91923644) is 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The canonical SMILES for 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is O=C1NCCN2CC3(CCN(C(=O)CC4CCCC4)CC3)CC12.
What is the InChIKey of 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The InChIKey is CODBOJZBIXNKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-16(11-14-3-1-2-4-14)20-8-5-18(6-9-20)12-15-17(23)19-7-10-21(15)13-18/h14-15H,1-13H2,(H,19,23).
What are the key properties of 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one has a molecular weight of 319.45 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-cyclopentylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is sourced from PubChem (CID 91923644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).