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

C18H18N2O3S — CID 69254533

IUPAC1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(COc1cccs1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N2O3S/c21-15(12-23-16-6-3-11-24-16)20-9-7-18(8-10-20)13-4-1-2-5-14(13)19-17(18)22/h1-6,11H,7-10,12H2,(H,19,22)
InChIKeyKETPOLOJVLWUDA-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.64
Rot. Bonds3

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

1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 69254533) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID69254533
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(COc1cccs1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H18N2O3S/c21-15(12-23-16-6-3-11-24-16)20-9-7-18(8-10-20)13-4-1-2-5-14(13)19-17(18)22/h1-6,11H,7-10,12H2,(H,19,22)
InChIKeyKETPOLOJVLWUDA-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 69254533) is 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C(COc1cccs1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is KETPOLOJVLWUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-15(12-23-16-6-3-11-24-16)20-9-7-18(8-10-20)13-4-1-2-5-14(13)19-17(18)22/h1-6,11H,7-10,12H2,(H,19,22).
What are the key properties of 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 342.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-thiophen-2-yloxyacetyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 69254533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).