1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide

C20H21N3O4S — CID 53299026

IUPAC1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C20H21N3O4S/c21-20(25)14-9-11-22(12-10-14)19(24)13-23-15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)23/h1-8,14H,9-13H2,(H2,21,25)
InChIKeyLEQQTEOLMKUOBQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide

1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide (PubChem CID 53299026) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
PubChem CID53299026
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C20H21N3O4S/c21-20(25)14-9-11-22(12-10-14)19(24)13-23-15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)23/h1-8,14H,9-13H2,(H2,21,25)
InChIKeyLEQQTEOLMKUOBQ-UHFFFAOYSA-N
XLogP1.69
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetyl]piperidine-4-carboxamide
CID 23610285
1-[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-4-carboxamide
CID 5020548
1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxamide
CID 46356950
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
cyclopropyl-(5,5-dioxophenothiazin-10-yl)methanone
CID 66507618
4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091089
1-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperidine-4-carboxamide
CID 110694627
1-[2-[(4-phenylbenzoyl)amino]acetyl]piperidine-4-carboxamide
CID 36929560
1-[(E)-5-phenylpent-4-enoyl]piperidine-4-carboxamide
CID 119137406
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide (CID 53299026) is 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is LEQQTEOLMKUOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c21-20(25)14-9-11-22(12-10-14)19(24)13-23-15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)23/h1-8,14H,9-13H2,(H2,21,25).
What are the key properties of 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide?
1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,5-dioxophenothiazin-10-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 53299026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).