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

C20H20N2O3 — CID 134790796

IUPAC1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H20N2O3/c1-25-17-9-5-2-6-14(17)18(23)22-12-10-20(11-13-22)15-7-3-4-8-16(15)21-19(20)24/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyLYINGNZMZOEXHZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.82
Rot. Bonds2

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

1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134790796) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134790796
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1ccccc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C20H20N2O3/c1-25-17-9-5-2-6-14(17)18(23)22-12-10-20(11-13-22)15-7-3-4-8-16(15)21-19(20)24/h2-9H,10-13H2,1H3,(H,21,24)
InChIKeyLYINGNZMZOEXHZ-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 134790796) is 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one is COc1ccccc1C(=O)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is LYINGNZMZOEXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-17-9-5-2-6-14(17)18(23)22-12-10-20(11-13-22)15-7-3-4-8-16(15)21-19(20)24/h2-9H,10-13H2,1H3,(H,21,24).
What are the key properties of 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxybenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134790796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).