[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone

C22H26N4OS — CID 141269853

IUPAC[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(C2CCNCC2)n1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H26N4OS/c27-22(20-14-28-21(25-20)16-5-9-23-10-6-16)26-11-7-15(8-12-26)18-13-24-19-4-2-1-3-17(18)19/h1-4,13-16,23-24H,5-12H2
InChIKeyVXXITUGBISJRPU-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.11
Rot. Bonds3

About [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 141269853) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID141269853
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(C2CCNCC2)n1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H26N4OS/c27-22(20-14-28-21(25-20)16-5-9-23-10-6-16)26-11-7-15(8-12-26)18-13-24-19-4-2-1-3-17(18)19/h1-4,13-16,23-24H,5-12H2
InChIKeyVXXITUGBISJRPU-UHFFFAOYSA-N
XLogP4.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 23113298
1-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 11570732
2-(4-fluorophenyl)-3-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]propanal
CID 174536193
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(5S)-5-[4-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-5-(thiolan-3-yl)pentanal
CID 87889890
1-[4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 3573444
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
methane;3-piperidin-4-yl-1H-indole
CID 70444570
2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3687137
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (CID 141269853) is [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(C2CCNCC2)n1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is VXXITUGBISJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c27-22(20-14-28-21(25-20)16-5-9-23-10-6-16)26-11-7-15(8-12-26)18-13-24-19-4-2-1-3-17(18)19/h1-4,13-16,23-24H,5-12H2.
What are the key properties of [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 394.54 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 141269853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).