4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione

C20H24N2O3 — CID 167793924

IUPAC4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione
SMILESO=C1CC(CC(=O)N2CC3(CCCCC3)c3ccccc32)CC(=O)N1
InChIInChI=1S/C20H24N2O3/c23-17-10-14(11-18(24)21-17)12-19(25)22-13-20(8-4-1-5-9-20)15-6-2-3-7-16(15)22/h2-3,6-7,14H,1,4-5,8-13H2,(H,21,23,24)
InChIKeyDHUOXQKKNZWYGA-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.68
Rot. Bonds2

About 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione

4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione (PubChem CID 167793924) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione
PubChem CID167793924
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione
SMILESO=C1CC(CC(=O)N2CC3(CCCCC3)c3ccccc32)CC(=O)N1
InChIInChI=1S/C20H24N2O3/c23-17-10-14(11-18(24)21-17)12-19(25)22-13-20(8-4-1-5-9-20)15-6-2-3-7-16(15)22/h2-3,6-7,14H,1,4-5,8-13H2,(H,21,23,24)
InChIKeyDHUOXQKKNZWYGA-UHFFFAOYSA-N
XLogP2.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
2-pyrrolidin-2-yl-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylethanone;hydrochloride
CID 119791586
4-(2-oxo-2-spiro[2H-indole-3,1'-cyclopentane]-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 99701637
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
CID 120562983
3-(2-aminophenyl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropan-1-one;hydrochloride
CID 120611001
N,N-dimethyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopentane]-1-ylpropane-1-sulfonamide
CID 75514639
[(2R,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860256
[(2S,4S)-4-hydroxypyrrolidin-2-yl]-spiro[2H-indole-3,1'-cyclopentane]-1-ylmethanone
CID 124860257

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione?
The IUPAC name of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione (CID 167793924) is 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione?
The canonical SMILES for 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione is O=C1CC(CC(=O)N2CC3(CCCCC3)c3ccccc32)CC(=O)N1.
What is the InChIKey of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione?
The InChIKey is DHUOXQKKNZWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-17-10-14(11-18(24)21-17)12-19(25)22-13-20(8-4-1-5-9-20)15-6-2-3-7-16(15)22/h2-3,6-7,14H,1,4-5,8-13H2,(H,21,23,24).
What are the key properties of 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione?
4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione has a molecular weight of 340.42 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-spiro[2H-indole-3,1'-cyclohexane]-1-ylethyl)piperidine-2,6-dione is sourced from PubChem (CID 167793924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).