6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one

C17H25N3O — CID 139525999

IUPAC6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)CC2CC2C3)c(=O)[nH]1
InChIInChI=1S/C17H25N3O/c1-11(2)14-10-18-15(16(21)19-14)20-5-3-17(4-6-20)8-12-7-13(12)9-17/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyFXTZMXVEPBRAJT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.91
Rot. Bonds2

About 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one

6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one (PubChem CID 139525999) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one
PubChem CID139525999
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one
SMILESCC(C)c1cnc(N2CCC3(CC2)CC2CC2C3)c(=O)[nH]1
InChIInChI=1S/C17H25N3O/c1-11(2)14-10-18-15(16(21)19-14)20-5-3-17(4-6-20)8-12-7-13(12)9-17/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyFXTZMXVEPBRAJT-UHFFFAOYSA-N
XLogP2.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one?
The IUPAC name of 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one (CID 139525999) is 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one.
What is the SMILES notation for 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one?
The canonical SMILES for 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one is CC(C)c1cnc(N2CCC3(CC2)CC2CC2C3)c(=O)[nH]1.
What is the InChIKey of 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one?
The InChIKey is FXTZMXVEPBRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)14-10-18-15(16(21)19-14)20-5-3-17(4-6-20)8-12-7-13(12)9-17/h10-13H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one?
6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl-1H-pyrazin-2-one is sourced from PubChem (CID 139525999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).