7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one

C22H21N3O2 — CID 159306647

IUPAC7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
SMILESNc1ccccc1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C22H21N3O2/c23-17-5-2-1-4-14(17)12-20(26)16-7-6-15-10-19-21(27)24-13-22(8-3-9-22)25(19)18(15)11-16/h1-2,4-7,10-11H,3,8-9,12-13,23H2,(H,24,27)
InChIKeyOFXGGNZJBNHINS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.27
Rot. Bonds3

About 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one

7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one (PubChem CID 159306647) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one.

Molecular Properties

Compound Name7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
PubChem CID159306647
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
SMILESNc1ccccc1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C22H21N3O2/c23-17-5-2-1-4-14(17)12-20(26)16-7-6-15-10-19-21(27)24-13-22(8-3-9-22)25(19)18(15)11-16/h1-2,4-7,10-11H,3,8-9,12-13,23H2,(H,24,27)
InChIKeyOFXGGNZJBNHINS-UHFFFAOYSA-N
XLogP3.27
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 157187864
N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]oxolan-3-yl]prop-2-enamide
CID 158455782
ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid
CID 144715018
7-[2-(3,3-dimethyl-4-prop-2-enoyl-2H-1,4-benzoxazin-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 160712668
1-oxo-N-[(3R,4S)-4-(prop-2-enoylamino)oxolan-3-yl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide
CID 118597384
2-[2-oxo-2-(1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-8-yl)ethyl]benzamide;1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxylic acid
CID 158158902
8-[2-(5-benzyl-1,2-oxazol-3-yl)acetyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 147792817
8-[2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 157327929
N-(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)-2-pyrrolidin-2-ylacetamide
CID 155223118
8-[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 162078419
N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide
CID 158060020
8-[2-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]acetyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 146828661

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
The IUPAC name of 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one (CID 159306647) is 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one.
What is the SMILES notation for 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
The canonical SMILES for 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one is Nc1ccccc1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O.
What is the InChIKey of 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
The InChIKey is OFXGGNZJBNHINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c23-17-5-2-1-4-14(17)12-20(26)16-7-6-15-10-19-21(27)24-13-22(8-3-9-22)25(19)18(15)11-16/h1-2,4-7,10-11H,3,8-9,12-13,23H2,(H,24,27).
What are the key properties of 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one has a molecular weight of 359.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one is sourced from PubChem (CID 159306647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).