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

C20H23N3O2S — CID 72901795

IUPAC1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCCCc1nc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cs1
InChIInChI=1S/C20H23N3O2S/c1-3-6-17-21-15(13-26-17)18(24)23-11-9-20(10-12-23)14-7-4-5-8-16(14)22(2)19(20)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3
InChIKeyCXJMBYKGUZTEOZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.25
Rot. Bonds3

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

1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 72901795) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID72901795
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCCCc1nc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cs1
InChIInChI=1S/C20H23N3O2S/c1-3-6-17-21-15(13-26-17)18(24)23-11-9-20(10-12-23)14-7-4-5-8-16(14)22(2)19(20)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3
InChIKeyCXJMBYKGUZTEOZ-UHFFFAOYSA-N
XLogP3.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one (CID 72901795) is 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one is CCCc1nc(C(=O)N2CCC3(CC2)C(=O)N(C)c2ccccc23)cs1.
What is the InChIKey of 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is CXJMBYKGUZTEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-6-17-21-15(13-26-17)18(24)23-11-9-20(10-12-23)14-7-4-5-8-16(14)22(2)19(20)25/h4-5,7-8,13H,3,6,9-12H2,1-2H3.
What are the key properties of 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one?
1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 369.49 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 72901795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).