2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one

C20H27N3O3S — CID 55843835

IUPAC2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2SC1CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C20H27N3O3S/c24-19(13-18-20(25)21-16-3-1-2-4-17(16)27-18)23-7-5-15(6-8-23)14-22-9-11-26-12-10-22/h1-4,15,18H,5-14H2,(H,21,25)
InChIKeyIIUXZWRHZPJOHN-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.06
Rot. Bonds4

About 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one

2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 55843835) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
PubChem CID55843835
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
SMILESO=C1Nc2ccccc2SC1CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C20H27N3O3S/c24-19(13-18-20(25)21-16-3-1-2-4-17(16)27-18)23-7-5-15(6-8-23)14-22-9-11-26-12-10-22/h1-4,15,18H,5-14H2,(H,21,25)
InChIKeyIIUXZWRHZPJOHN-UHFFFAOYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-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

Related Compounds

(2R)-2-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 95579769
(2S)-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 9414352
(2R)-2-[2-[(4R)-4-methylazepan-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 95141265
ethyl 1-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]piperidine-4-carboxylate
CID 51162080
2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 4079849
(2R)-2-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 97236864
(2S)-2-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
CID 9452103
(2S)-2-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 8642377
2-[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 56798796
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55977401
(2R)-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 9106052
(2S)-2-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 9415539

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one (CID 55843835) is 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one is O=C1Nc2ccccc2SC1CC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is IIUXZWRHZPJOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c24-19(13-18-20(25)21-16-3-1-2-4-17(16)27-18)23-7-5-15(6-8-23)14-22-9-11-26-12-10-22/h1-4,15,18H,5-14H2,(H,21,25).
What are the key properties of 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one?
2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 389.52 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 55843835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).