(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone

C22H26N6O — CID 136666781

IUPAC(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC2(C1)Nc1ccccc1N/C2=N\C1CCCC1
InChIInChI=1S/C22H26N6O/c29-20(19-14-23-11-12-24-19)28-13-5-10-22(15-28)21(25-16-6-1-2-7-16)26-17-8-3-4-9-18(17)27-22/h3-4,8-9,11-12,14,16,27H,1-2,5-7,10,13,15H2,(H,25,26)
InChIKeyHYSKJASAZDQNQE-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.33
Rot. Bonds2

About (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone

(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone (PubChem CID 136666781) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone
PubChem CID136666781
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC2(C1)Nc1ccccc1N/C2=N\C1CCCC1
InChIInChI=1S/C22H26N6O/c29-20(19-14-23-11-12-24-19)28-13-5-10-22(15-28)21(25-16-6-1-2-7-16)26-17-8-3-4-9-18(17)27-22/h3-4,8-9,11-12,14,16,27H,1-2,5-7,10,13,15H2,(H,25,26)
InChIKeyHYSKJASAZDQNQE-UHFFFAOYSA-N
XLogP3.33
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136872758
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-phenylmethanone
CID 136730678
[(2R)-3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 136743815
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-piperidine]-1'-yl]-(2-ethylpyrazol-3-yl)methanone
CID 137239002
[(2S)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-thiophen-3-ylmethanone
CID 136730739
[(2R)-3-cyclopentyliminospiro[1,4-dihydropyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-yl]-(4-methoxy-2-methylphenyl)methanone
CID 136730734
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone (CID 136666781) is (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC2(C1)Nc1ccccc1N/C2=N\C1CCCC1.
What is the InChIKey of (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone?
The InChIKey is HYSKJASAZDQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-20(19-14-23-11-12-24-19)28-13-5-10-22(15-28)21(25-16-6-1-2-7-16)26-17-8-3-4-9-18(17)27-22/h3-4,8-9,11-12,14,16,27H,1-2,5-7,10,13,15H2,(H,25,26).
What are the key properties of (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone?
(3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone has a molecular weight of 390.49 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyliminospiro[1,4-dihydroquinoxaline-2,3'-piperidine]-1'-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 136666781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).