6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one

C19H25N3O3S — CID 5122142

IUPAC6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
SMILESCC1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1
InChIInChI=1S/C19H25N3O3S/c1-13-4-6-21(7-5-13)18(24)14-2-3-16-15(12-14)20-17(23)19(26-16)22-8-10-25-11-9-22/h2-3,12-13,19H,4-11H2,1H3,(H,20,23)
InChIKeyOHWZUKOQAJNDIH-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.26
Rot. Bonds2

About 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one

6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one (PubChem CID 5122142) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
PubChem CID5122142
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
SMILESCC1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1
InChIInChI=1S/C19H25N3O3S/c1-13-4-6-21(7-5-13)18(24)14-2-3-16-15(12-14)20-17(23)19(26-16)22-8-10-25-11-9-22/h2-3,12-13,19H,4-11H2,1H3,(H,20,23)
InChIKeyOHWZUKOQAJNDIH-UHFFFAOYSA-N
XLogP2.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one 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 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one (CID 5122142) is 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one is CC1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1.
What is the InChIKey of 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one?
The InChIKey is OHWZUKOQAJNDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-13-4-6-21(7-5-13)18(24)14-2-3-16-15(12-14)20-17(23)19(26-16)22-8-10-25-11-9-22/h2-3,12-13,19H,4-11H2,1H3,(H,20,23).
What are the key properties of 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one?
6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one has a molecular weight of 375.49 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidine-1-carbonyl)-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 5122142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).