1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone

C20H22N2OS — CID 53032510

IUPAC1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1
InChIInChI=1S/C20H22N2OS/c1-15-8-10-21(11-9-15)20(23)14-22-17-6-3-2-5-16(17)13-18(22)19-7-4-12-24-19/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeyRKJJEPMEVMVFJH-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.63
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone (PubChem CID 53032510) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
PubChem CID53032510
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1
InChIInChI=1S/C20H22N2OS/c1-15-8-10-21(11-9-15)20(23)14-22-17-6-3-2-5-16(17)13-18(22)19-7-4-12-24-19/h2-7,12-13,15H,8-11,14H2,1H3
InChIKeyRKJJEPMEVMVFJH-UHFFFAOYSA-N
XLogP4.63
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone (CID 53032510) is 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone is CC1CCN(C(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone?
The InChIKey is RKJJEPMEVMVFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15-8-10-21(11-9-15)20(23)14-22-17-6-3-2-5-16(17)13-18(22)19-7-4-12-24-19/h2-7,12-13,15H,8-11,14H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone has a molecular weight of 338.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(2-thiophen-2-ylindol-1-yl)ethanone is sourced from PubChem (CID 53032510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).