[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone

C20H22N2O2S — CID 71801097

IUPAC[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C20H22N2O2S/c23-20(18-12-21-19-6-2-1-5-17(18)19)22-9-7-15(8-10-22)13-25-14-16-4-3-11-24-16/h1-6,11-12,15,21H,7-10,13-14H2
InChIKeyWFCJBJSGXZINGE-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.55
Rot. Bonds5

About [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone

[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 71801097) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID71801097
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCC(CSCc2ccco2)CC1
InChIInChI=1S/C20H22N2O2S/c23-20(18-12-21-19-6-2-1-5-17(18)19)22-9-7-15(8-10-22)13-25-14-16-4-3-11-24-16/h1-6,11-12,15,21H,7-10,13-14H2
InChIKeyWFCJBJSGXZINGE-UHFFFAOYSA-N
XLogP4.55
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
N'-[1-(2-furyl)ethylidene]-1H-indole-3-carbohydrazide
CID 5340769
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
(6-Benzyloxy-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 10251285
6-Benzyloxy-3-((R)-2-pyridin-3-yl-thiazolidine-4-carbonyl)-indole-1-carboxylic acid tert-butyl ester
CID 11756259
2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 2572661
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 16194637
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-furylmethyl)-1H-indole-7-carboxamide
CID 507850
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
1H-indol-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66613289

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone (CID 71801097) is [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CCC(CSCc2ccco2)CC1.
What is the InChIKey of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is WFCJBJSGXZINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-20(18-12-21-19-6-2-1-5-17(18)19)22-9-7-15(8-10-22)13-25-14-16-4-3-11-24-16/h1-6,11-12,15,21H,7-10,13-14H2.
What are the key properties of [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone?
[4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 354.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-ylmethylsulfanylmethyl)piperidin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 71801097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).