1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C22H22N4O3S — CID 46698174

IUPAC1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2c1
InChIInChI=1S/C22H22N4O3S/c1-2-28-15-7-8-17-19(13-15)30-21(23-17)25-20(27)14-9-11-26(12-10-14)22-24-16-5-3-4-6-18(16)29-22/h3-8,13-14H,2,9-12H2,1H3,(H,23,25,27)
InChIKeyFSQXBKGPXGELBJ-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.69
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 46698174) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID46698174
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2c1
InChIInChI=1S/C22H22N4O3S/c1-2-28-15-7-8-17-19(13-15)30-21(23-17)25-20(27)14-9-11-26(12-10-14)22-24-16-5-3-4-6-18(16)29-22/h3-8,13-14H,2,9-12H2,1H3,(H,23,25,27)
InChIKeyFSQXBKGPXGELBJ-UHFFFAOYSA-N
XLogP4.69
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16592732
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609600
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-ethoxyphenoxy)propanoyl]piperidine-4-carbohydrazide
CID 46697647
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2978758
1-(1,3-benzoxazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16594434
N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55916766
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(3-oxo-4H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide
CID 46390606
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171995182
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 46698174) is 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is CCOc1ccc2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is FSQXBKGPXGELBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-2-28-15-7-8-17-19(13-15)30-21(23-17)25-20(27)14-9-11-26(12-10-14)22-24-16-5-3-4-6-18(16)29-22/h3-8,13-14H,2,9-12H2,1H3,(H,23,25,27).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46698174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).