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

C18H19N3O2S — CID 126951449

IUPAC[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(Oc3cccc4[nH]ccc34)CC2)cs1
InChIInChI=1S/C18H19N3O2S/c1-12-20-16(11-24-12)18(22)21-9-6-13(7-10-21)23-17-4-2-3-15-14(17)5-8-19-15/h2-5,8,11,13,19H,6-7,9-10H2,1H3
InChIKeyPUQZVGWHHVKUTO-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.62
Rot. Bonds3

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

[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 126951449) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID126951449
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(Oc3cccc4[nH]ccc34)CC2)cs1
InChIInChI=1S/C18H19N3O2S/c1-12-20-16(11-24-12)18(22)21-9-6-13(7-10-21)23-17-4-2-3-15-14(17)5-8-19-15/h2-5,8,11,13,19H,6-7,9-10H2,1H3
InChIKeyPUQZVGWHHVKUTO-UHFFFAOYSA-N
XLogP3.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126952327
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
CID 126951554
[4-(2-chlorophenoxy)piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 70765937
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100625527

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 126951449) is [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(Oc3cccc4[nH]ccc34)CC2)cs1.
What is the InChIKey of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is PUQZVGWHHVKUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-20-16(11-24-12)18(22)21-9-6-13(7-10-21)23-17-4-2-3-15-14(17)5-8-19-15/h2-5,8,11,13,19H,6-7,9-10H2,1H3.
What are the key properties of [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 341.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 126951449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).