[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C22H25N3O2S — CID 126952327

IUPAC[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)cs1
InChIInChI=1S/C22H25N3O2S/c1-15-23-19(14-28-15)22(26)24-10-7-17(8-11-24)27-21-4-2-3-20-18(21)9-12-25(20)13-16-5-6-16/h2-4,9,12,14,16-17H,5-8,10-11,13H2,1H3
InChIKeyDEHHFMZESAXPBN-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.50
Rot. Bonds5

About [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 126952327) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID126952327
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)cs1
InChIInChI=1S/C22H25N3O2S/c1-15-23-19(14-28-15)22(26)24-10-7-17(8-11-24)27-21-4-2-3-20-18(21)9-12-25(20)13-16-5-6-16/h2-4,9,12,14,16-17H,5-8,10-11,13H2,1H3
InChIKeyDEHHFMZESAXPBN-UHFFFAOYSA-N
XLogP4.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126952332
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126952507
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
CID 126952470
2-[4-[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953334
5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126952400
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 72717266

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 126952327) is [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC(Oc3cccc4c3ccn4CC3CC3)CC2)cs1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is DEHHFMZESAXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-23-19(14-28-15)22(26)24-10-7-17(8-11-24)27-21-4-2-3-20-18(21)9-12-25(20)13-16-5-6-16/h2-4,9,12,14,16-17H,5-8,10-11,13H2,1H3.
What are the key properties of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 395.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 126952327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).