2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone

C20H22N2O2S — CID 66507614

IUPAC2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone
SMILESCC1CCN(CC(=O)N2c3ccccc3S(=O)c3ccccc32)CC1
InChIInChI=1S/C20H22N2O2S/c1-15-10-12-21(13-11-15)14-20(23)22-16-6-2-4-8-18(16)25(24)19-9-5-3-7-17(19)22/h2-9,15H,10-14H2,1H3
InChIKeyQHWKNCQFJOVONE-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.56
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone

2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone (PubChem CID 66507614) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone
PubChem CID66507614
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone
SMILESCC1CCN(CC(=O)N2c3ccccc3S(=O)c3ccccc32)CC1
InChIInChI=1S/C20H22N2O2S/c1-15-10-12-21(13-11-15)14-20(23)22-16-6-2-4-8-18(16)25(24)19-9-5-3-7-17(19)22/h2-9,15H,10-14H2,1H3
InChIKeyQHWKNCQFJOVONE-UHFFFAOYSA-N
XLogP3.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone (CID 66507614) is 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone is CC1CCN(CC(=O)N2c3ccccc3S(=O)c3ccccc32)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone?
The InChIKey is QHWKNCQFJOVONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-10-12-21(13-11-15)14-20(23)22-16-6-2-4-8-18(16)25(24)19-9-5-3-7-17(19)22/h2-9,15H,10-14H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone?
2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone has a molecular weight of 354.47 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-(5-oxophenothiazin-10-yl)ethanone is sourced from PubChem (CID 66507614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).