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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Related Compounds

2-morpholin-4-yl-1-(5-oxophenothiazin-10-yl)ethanone
CID 66492583
ethyl 4-[2-oxo-2-(5-oxophenothiazin-10-yl)ethyl]piperazine-1-carboxylate
CID 66507360
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-oxophenothiazin-10-yl)ethanone
CID 66492591
1-(5-oxophenothiazin-10-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 66507423
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
1-carbazol-9-yl-2-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 44782279
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 44516665
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128

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).