1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone

C22H24N2O2S — CID 3619438

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
SMILESCC1CCCC(C)N1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-15-7-5-8-16(2)24(15)21(25)14-23-13-18(17-9-3-4-10-19(17)23)22(26)20-11-6-12-27-20/h3-4,6,9-13,15-16H,5,7-8,14H2,1-2H3
InChIKeyQRLDXKBTXDOZLM-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.72
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone (PubChem CID 3619438) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
PubChem CID3619438
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
SMILESCC1CCCC(C)N1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-15-7-5-8-16(2)24(15)21(25)14-23-13-18(17-9-3-4-10-19(17)23)22(26)20-11-6-12-27-20/h3-4,6,9-13,15-16H,5,7-8,14H2,1-2H3
InChIKeyQRLDXKBTXDOZLM-UHFFFAOYSA-N
XLogP4.72
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone (CID 3619438) is 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone is CC1CCCC(C)N1C(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone?
The InChIKey is QRLDXKBTXDOZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-7-5-8-16(2)24(15)21(25)14-23-13-18(17-9-3-4-10-19(17)23)22(26)20-11-6-12-27-20/h3-4,6,9-13,15-16H,5,7-8,14H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone has a molecular weight of 380.51 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone is sourced from PubChem (CID 3619438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).