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

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Related Compounds

(2S)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 92696424
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 4572104
6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one
CID 3451185
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
(2R)-N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696398
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175
N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5054274
(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 92696425
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696395
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]piperidine-4-carboxylic acid
CID 125145617
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039

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).