1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide

C18H28N4O2S — CID 45182630

IUPAC1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C18H28N4O2S/c1-21(2)9-10-22-12-13(7-8-17(22)23)18(24)19-11-16-20-14-5-3-4-6-15(14)25-16/h13H,3-12H2,1-2H3,(H,19,24)
InChIKeyHSUHGNRVWYRXGR-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.44
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 45182630) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID45182630
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C18H28N4O2S/c1-21(2)9-10-22-12-13(7-8-17(22)23)18(24)19-11-16-20-14-5-3-4-6-15(14)25-16/h13H,3-12H2,1-2H3,(H,19,24)
InChIKeyHSUHGNRVWYRXGR-UHFFFAOYSA-N
XLogP1.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide (CID 45182630) is 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide is CN(C)CCN1CC(C(=O)NCc2nc3c(s2)CCCC3)CCC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HSUHGNRVWYRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-21(2)9-10-22-12-13(7-8-17(22)23)18(24)19-11-16-20-14-5-3-4-6-15(14)25-16/h13H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45182630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).