[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone

C20H22N2OS — CID 84580370

IUPAC[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)c4cccs4)CC3)c(C)c2c1
InChIInChI=1S/C20H22N2OS/c1-13-5-6-17-16(12-13)14(2)19(21-17)15-7-9-22(10-8-15)20(23)18-4-3-11-24-18/h3-6,11-12,15,21H,7-10H2,1-2H3
InChIKeyAUEKBGANLKTSHY-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.87
Rot. Bonds2

About [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 84580370) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID84580370
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc2[nH]c(C3CCN(C(=O)c4cccs4)CC3)c(C)c2c1
InChIInChI=1S/C20H22N2OS/c1-13-5-6-17-16(12-13)14(2)19(21-17)15-7-9-22(10-8-15)20(23)18-4-3-11-24-18/h3-6,11-12,15,21H,7-10H2,1-2H3
InChIKeyAUEKBGANLKTSHY-UHFFFAOYSA-N
XLogP4.87
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 84579139
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113087464
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369
(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-thiophen-2-ylmethanone
CID 113089540
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
N'-[3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 15951336

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 84580370) is [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone is Cc1ccc2[nH]c(C3CCN(C(=O)c4cccs4)CC3)c(C)c2c1.
What is the InChIKey of [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is AUEKBGANLKTSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-13-5-6-17-16(12-13)14(2)19(21-17)15-7-9-22(10-8-15)20(23)18-4-3-11-24-18/h3-6,11-12,15,21H,7-10H2,1-2H3.
What are the key properties of [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 338.48 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 84580370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).