2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone

C20H22N2OS — CID 4877578

IUPAC2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone
SMILESCC1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C20H22N2OS/c1-15-7-6-12-21(13-15)14-20(23)22-16-8-2-4-10-18(16)24-19-11-5-3-9-17(19)22/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKeyRQSGIUPWCLBWNG-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.55
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone

2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone (PubChem CID 4877578) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone
PubChem CID4877578
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone
SMILESCC1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C20H22N2OS/c1-15-7-6-12-21(13-15)14-20(23)22-16-8-2-4-10-18(16)24-19-11-5-3-9-17(19)22/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKeyRQSGIUPWCLBWNG-UHFFFAOYSA-N
XLogP4.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone (CID 4877578) is 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone is CC1CCCN(CC(=O)N2c3ccccc3Sc3ccccc32)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone?
The InChIKey is RQSGIUPWCLBWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15-7-6-12-21(13-15)14-20(23)22-16-8-2-4-10-18(16)24-19-11-5-3-9-17(19)22/h2-5,8-11,15H,6-7,12-14H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone?
2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone has a molecular weight of 338.48 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 4877578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).