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

C16H17N3OS — CID 97375612

IUPAC1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1nccs1)CC2
InChIInChI=1S/C16H17N3OS/c20-15-16(12-3-1-2-4-13(12)18-15)5-8-19(9-6-16)11-14-17-7-10-21-14/h1-4,7,10H,5-6,8-9,11H2,(H,18,20)
InChIKeyKGXODVRFJDTOHS-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.63
Rot. Bonds2

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

1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 97375612) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID97375612
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1nccs1)CC2
InChIInChI=1S/C16H17N3OS/c20-15-16(12-3-1-2-4-13(12)18-15)5-8-19(9-6-16)11-14-17-7-10-21-14/h1-4,7,10H,5-6,8-9,11H2,(H,18,20)
InChIKeyKGXODVRFJDTOHS-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 97375612) is 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2ccccc2C12CCN(Cc1nccs1)CC2.
What is the InChIKey of 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is KGXODVRFJDTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-15-16(12-3-1-2-4-13(12)18-15)5-8-19(9-6-16)11-14-17-7-10-21-14/h1-4,7,10H,5-6,8-9,11H2,(H,18,20).
What are the key properties of 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 299.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 97375612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).