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

C21H25N3O2 — CID 157187864

IUPAC7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
SMILESNC1CCCC1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C21H25N3O2/c22-16-4-1-3-13(16)11-19(25)15-6-5-14-9-18-20(26)23-12-21(7-2-8-21)24(18)17(14)10-15/h5-6,9-10,13,16H,1-4,7-8,11-12,22H2,(H,23,26)
InChIKeyIQRPEVXOSLLHTJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.96
Rot. Bonds3

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

7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one (PubChem CID 157187864) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one.

Molecular Properties

Compound Name7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
PubChem CID157187864
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
SMILESNC1CCCC1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C21H25N3O2/c22-16-4-1-3-13(16)11-19(25)15-6-5-14-9-18-20(26)23-12-21(7-2-8-21)24(18)17(14)10-15/h5-6,9-10,13,16H,1-4,7-8,11-12,22H2,(H,23,26)
InChIKeyIQRPEVXOSLLHTJ-UHFFFAOYSA-N
XLogP2.96
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one with MolForge

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Related Compounds

7-[2-(2-aminophenyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 159306647
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-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one
CID 148799982
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
N-[4-[2-oxo-2-(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)ethyl]-2-piperidin-1-yl-1,3-thiazol-5-yl]prop-2-enamide
CID 147824626
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
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
9-oxo-N-[2-(prop-2-enoylamino)cyclohexyl]spiro[7,8-dihydropyrido[1,2-a]indole-6,1'-cyclobutane]-3-carboxamide
CID 118603760
1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57394084
4,4-dimethyl-8-[2-(1-methylpyrazol-4-yl)acetyl]-3,5-dihydro-2H-[1,4]diazepino[1,2-a]indol-1-one
CID 148720702
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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
The IUPAC name of 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one (CID 157187864) is 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one.
What is the SMILES notation for 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
The canonical SMILES for 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one is NC1CCCC1CC(=O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O.
What is the InChIKey of 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
The InChIKey is IQRPEVXOSLLHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-16-4-1-3-13(16)11-19(25)15-6-5-14-9-18-20(26)23-12-21(7-2-8-21)24(18)17(14)10-15/h5-6,9-10,13,16H,1-4,7-8,11-12,22H2,(H,23,26).
What are the key properties of 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one?
7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one has a molecular weight of 351.45 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-aminocyclopentyl)acetyl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-1-one is sourced from PubChem (CID 157187864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).