cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

C22H27N3O — CID 53058161

IUPACcyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)C3CCC3)CC1)N2
InChIInChI=1S/C22H27N3O/c1-15-8-9-18-20(16(15)2)25-12-4-7-19(25)22(23-18)10-13-24(14-11-22)21(26)17-5-3-6-17/h4,7-9,12,17,23H,3,5-6,10-11,13-14H2,1-2H3
InChIKeyBSFMPDMCWBOUFC-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.14
Rot. Bonds1

About cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone

cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (PubChem CID 53058161) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
PubChem CID53058161
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Namecyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
SMILESCc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)C3CCC3)CC1)N2
InChIInChI=1S/C22H27N3O/c1-15-8-9-18-20(16(15)2)25-12-4-7-19(25)22(23-18)10-13-24(14-11-22)21(26)17-5-3-6-17/h4,7-9,12,17,23H,3,5-6,10-11,13-14H2,1-2H3
InChIKeyBSFMPDMCWBOUFC-UHFFFAOYSA-N
XLogP4.14
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53005085
(2R)-1-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)-2-phenylbutan-1-one
CID 95065692
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
[3-(dimethylamino)phenyl]-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058156
1'-(benzenesulfonyl)-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058047
1'-(1H-imidazol-5-ylsulfonyl)-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53058050
1'-(4-ethoxyphenyl)sulfonyl-8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]
CID 53025795
N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53030200
benzyl 7,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxylate
CID 70814282
N-(3,4-dimethylphenyl)-7-fluorospiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580698
7-fluoro-N-(3-fluoro-4-methylphenyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 22580715
(2-bromophenyl)-(7-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53025836

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The IUPAC name of cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone (CID 53058161) is cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)C3CCC3)CC1)N2.
What is the InChIKey of cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
The InChIKey is BSFMPDMCWBOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-15-8-9-18-20(16(15)2)25-12-4-7-19(25)22(23-18)10-13-24(14-11-22)21(26)17-5-3-6-17/h4,7-9,12,17,23H,3,5-6,10-11,13-14H2,1-2H3.
What are the key properties of cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone?
cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 349.48 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(8,9-dimethylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 53058161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).