N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide

C18H23N3O2S — CID 131895532

IUPACN-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H23N3O2S/c22-18(20-14-3-4-17-16(10-14)19-12-24-17)13-2-1-7-21(11-13)15-5-8-23-9-6-15/h3-4,10,12-13,15H,1-2,5-9,11H2,(H,20,22)
InChIKeyXJSWQLQZAMUNAT-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.13
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide

N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 131895532) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID131895532
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H23N3O2S/c22-18(20-14-3-4-17-16(10-14)19-12-24-17)13-2-1-7-21(11-13)15-5-8-23-9-6-15/h3-4,10,12-13,15H,1-2,5-9,11H2,(H,20,22)
InChIKeyXJSWQLQZAMUNAT-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide (CID 131895532) is N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide is O=C(Nc1ccc2scnc2c1)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is XJSWQLQZAMUNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-18(20-14-3-4-17-16(10-14)19-12-24-17)13-2-1-7-21(11-13)15-5-8-23-9-6-15/h3-4,10,12-13,15H,1-2,5-9,11H2,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide?
N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 131895532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).