N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide

C18H30N4O2 — CID 91923649

IUPACN-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide
SMILESO=C1NCCN2CC3(CCN(C(=O)NC4CCCCC4)CC3)CC12
InChIInChI=1S/C18H30N4O2/c23-16-15-12-18(13-22(15)11-8-19-16)6-9-21(10-7-18)17(24)20-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,19,23)(H,20,24)
InChIKeyQCEJCYSNPCJBJU-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.32
Rot. Bonds1

About N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide

N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide (PubChem CID 91923649) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide
PubChem CID91923649
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide
SMILESO=C1NCCN2CC3(CCN(C(=O)NC4CCCCC4)CC3)CC12
InChIInChI=1S/C18H30N4O2/c23-16-15-12-18(13-22(15)11-8-19-16)6-9-21(10-7-18)17(24)20-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,19,23)(H,20,24)
InChIKeyQCEJCYSNPCJBJU-UHFFFAOYSA-N
XLogP1.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide (CID 91923649) is N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide is O=C1NCCN2CC3(CCN(C(=O)NC4CCCCC4)CC3)CC12.
What is the InChIKey of N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide?
The InChIKey is QCEJCYSNPCJBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-16-15-12-18(13-22(15)11-8-19-16)6-9-21(10-7-18)17(24)20-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,19,23)(H,20,24).
What are the key properties of N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide?
N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-oxospiro[2,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazine-7,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 91923649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).