1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone

C17H25N5O — CID 136666842

IUPAC1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCCC2(C1)Nc1cccnc1N/C2=N\C(C)(C)C
InChIInChI=1S/C17H25N5O/c1-12(23)22-10-6-8-17(11-22)15(21-16(2,3)4)19-14-13(20-17)7-5-9-18-14/h5,7,9,20H,6,8,10-11H2,1-4H3,(H,18,19,21)
InChIKeyCLIVNUJDJHLYFY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.50
Rot. Bonds

About 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone

1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone (PubChem CID 136666842) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
PubChem CID136666842
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCCC2(C1)Nc1cccnc1N/C2=N\C(C)(C)C
InChIInChI=1S/C17H25N5O/c1-12(23)22-10-6-8-17(11-22)15(21-16(2,3)4)19-14-13(20-17)7-5-9-18-14/h5,7,9,20H,6,8,10-11H2,1-4H3,(H,18,19,21)
InChIKeyCLIVNUJDJHLYFY-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone (CID 136666842) is 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone is CC(=O)N1CCCC2(C1)Nc1cccnc1N/C2=N\C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone?
The InChIKey is CLIVNUJDJHLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(23)22-10-6-8-17(11-22)15(21-16(2,3)4)19-14-13(20-17)7-5-9-18-14/h5,7,9,20H,6,8,10-11H2,1-4H3,(H,18,19,21).
What are the key properties of 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone?
1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 136666842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).