4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

C19H26N4O4S — CID 91506978

IUPAC4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OC)CC3)nc12
InChIInChI=1S/C19H26N4O4S/c1-25-13-5-7-23(8-6-13)19(24)21-18-20-16-15(26-2)4-3-14(17(16)28-18)22-9-11-27-12-10-22/h3-4,13H,5-12H2,1-2H3,(H,20,21,24)
InChIKeyAJALRWKUIRQDLA-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.78
Rot. Bonds4

About 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide

4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (PubChem CID 91506978) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
PubChem CID91506978
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OC)CC3)nc12
InChIInChI=1S/C19H26N4O4S/c1-25-13-5-7-23(8-6-13)19(24)21-18-20-16-15(26-2)4-3-14(17(16)28-18)22-9-11-27-12-10-22/h3-4,13H,5-12H2,1-2H3,(H,20,21,24)
InChIKeyAJALRWKUIRQDLA-UHFFFAOYSA-N
XLogP2.78
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide (CID 91506978) is 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(OC)CC3)nc12.
What is the InChIKey of 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is AJALRWKUIRQDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-25-13-5-7-23(8-6-13)19(24)21-18-20-16-15(26-2)4-3-14(17(16)28-18)22-9-11-27-12-10-22/h3-4,13H,5-12H2,1-2H3,(H,20,21,24).
What are the key properties of 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide?
4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91506978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).