2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole

C21H28N4S — CID 71169095

IUPAC2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole
SMILESc1ccc2c(c1)NCCC21CCN(C2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C21H28N4S/c1-2-4-19-18(3-1)21(7-10-22-19)8-14-24(15-9-21)17-5-12-25(13-6-17)20-23-11-16-26-20/h1-4,11,16-17,22H,5-10,12-15H2
InChIKeyFYXYZQFDYSEILF-UHFFFAOYSA-N
MW368.55 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole

2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole (PubChem CID 71169095) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole
PubChem CID71169095
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole
SMILESc1ccc2c(c1)NCCC21CCN(C2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C21H28N4S/c1-2-4-19-18(3-1)21(7-10-22-19)8-14-24(15-9-21)17-5-12-25(13-6-17)20-23-11-16-26-20/h1-4,11,16-17,22H,5-10,12-15H2
InChIKeyFYXYZQFDYSEILF-UHFFFAOYSA-N
XLogP3.96
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole (CID 71169095) is 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole is c1ccc2c(c1)NCCC21CCN(C2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is FYXYZQFDYSEILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4S/c1-2-4-19-18(3-1)21(7-10-22-19)8-14-24(15-9-21)17-5-12-25(13-6-17)20-23-11-16-26-20/h1-4,11,16-17,22H,5-10,12-15H2.
What are the key properties of 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole?
2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 368.55 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-spiro[2,3-dihydro-1H-quinoline-4,4'-piperidine]-1'-ylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 71169095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).