1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one

C23H22N2O2 — CID 69089848

IUPAC1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC1=C(C(=O)N2C(=O)C3(CCNCC3)c3ccccc32)Cc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-15-17-7-3-2-6-16(17)14-18(15)21(26)25-20-9-5-4-8-19(20)23(22(25)27)10-12-24-13-11-23/h2-9,24H,10-14H2,1H3
InChIKeyMHTKDXHALXYKJR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.21
Rot. Bonds1

About 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one

1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 69089848) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID69089848
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC1=C(C(=O)N2C(=O)C3(CCNCC3)c3ccccc32)Cc2ccccc21
InChIInChI=1S/C23H22N2O2/c1-15-17-7-3-2-6-16(17)14-18(15)21(26)25-20-9-5-4-8-19(20)23(22(25)27)10-12-24-13-11-23/h2-9,24H,10-14H2,1H3
InChIKeyMHTKDXHALXYKJR-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.21
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

tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 68815259
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 68788369
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
N-[(4-hydroxypiperidin-4-yl)methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
CID 67233261
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
CID 90695133
1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one
CID 69417251
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
CID 58707760
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-methyl-1H-inden-2-yl)methanone
CID 58707882
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
CID 146405544

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 69089848) is 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CC1=C(C(=O)N2C(=O)C3(CCNCC3)c3ccccc32)Cc2ccccc21.
What is the InChIKey of 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is MHTKDXHALXYKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-17-7-3-2-6-16(17)14-18(15)21(26)25-20-9-5-4-8-19(20)23(22(25)27)10-12-24-13-11-23/h2-9,24H,10-14H2,1H3.
What are the key properties of 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 358.44 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 69089848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).