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

C19H31N3O2 — CID 91911504

IUPAC1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESO=C1NCCN2CC3(CCN(C(=O)CC4CCCCC4)CC3)CC12
InChIInChI=1S/C19H31N3O2/c23-17(12-15-4-2-1-3-5-15)21-9-6-19(7-10-21)13-16-18(24)20-8-11-22(16)14-19/h15-16H,1-14H2,(H,20,24)
InChIKeyGEEAKVNTKOAQQA-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.77
Rot. Bonds2

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

1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (PubChem CID 91911504) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
PubChem CID91911504
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one
SMILESO=C1NCCN2CC3(CCN(C(=O)CC4CCCCC4)CC3)CC12
InChIInChI=1S/C19H31N3O2/c23-17(12-15-4-2-1-3-5-15)21-9-6-19(7-10-21)13-16-18(24)20-8-11-22(16)14-19/h15-16H,1-14H2,(H,20,24)
InChIKeyGEEAKVNTKOAQQA-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The IUPAC name of 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one (CID 91911504) is 1'-(2-cyclohexylacetyl)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-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The canonical SMILES for 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is O=C1NCCN2CC3(CCN(C(=O)CC4CCCCC4)CC3)CC12.
What is the InChIKey of 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
The InChIKey is GEEAKVNTKOAQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c23-17(12-15-4-2-1-3-5-15)21-9-6-19(7-10-21)13-16-18(24)20-8-11-22(16)14-19/h15-16H,1-14H2,(H,20,24).
What are the key properties of 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one?
1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one has a molecular weight of 333.48 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-cyclohexylacetyl)spiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1-one is sourced from PubChem (CID 91911504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).