(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone

C19H20N2OS — CID 714968

IUPAC(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
SMILESCC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C19H20N2OS/c1-14-10-12-20(13-11-14)19(22)21-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3
InChIKeyVCAFBCCJZFWGQQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.14
Rot. Bonds

About (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone

(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone (PubChem CID 714968) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
PubChem CID714968
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
SMILESCC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C19H20N2OS/c1-14-10-12-20(13-11-14)19(22)21-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3
InChIKeyVCAFBCCJZFWGQQ-UHFFFAOYSA-N
XLogP5.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone?
The IUPAC name of (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone (CID 714968) is (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone is CC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone?
The InChIKey is VCAFBCCJZFWGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-14-10-12-20(13-11-14)19(22)21-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone?
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone has a molecular weight of 324.45 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 714968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).