1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide

C17H23N3O4S — CID 7686132

IUPAC1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1
InChIInChI=1S/C17H23N3O4S/c18-16(21)13-6-9-19(10-7-13)17(22)14-4-3-5-15(12-14)20-8-1-2-11-25(20,23)24/h3-5,12-13H,1-2,6-11H2,(H2,18,21)
InChIKeyMIWWKCTUIPKZPU-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.95
Rot. Bonds3

About 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide

1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 7686132) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
PubChem CID7686132
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1
InChIInChI=1S/C17H23N3O4S/c18-16(21)13-6-9-19(10-7-13)17(22)14-4-3-5-15(12-14)20-8-1-2-11-25(20,23)24/h3-5,12-13H,1-2,6-11H2,(H2,18,21)
InChIKeyMIWWKCTUIPKZPU-UHFFFAOYSA-N
XLogP0.95
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 7659007
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 119520117
ethyl 4-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperazine-1-carboxylate
CID 7685998
(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 128926995
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
[3-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7499097
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 120655887
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone;hydrochloride
CID 119633878
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120998010
[4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55587048
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N,N-diethylpiperazine-1-carboxamide
CID 34220448

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide (CID 7686132) is 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccc(N3CCCCS3(=O)=O)c2)CC1.
What is the InChIKey of 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is MIWWKCTUIPKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c18-16(21)13-6-9-19(10-7-13)17(22)14-4-3-5-15(12-14)20-8-1-2-11-25(20,23)24/h3-5,12-13H,1-2,6-11H2,(H2,18,21).
What are the key properties of 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide?
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 7686132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).