N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C20H21N3O3S — CID 90611504

IUPACN-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(N3CCC(C(=O)Nc4ccccc4O)CC3)sc2c1
InChIInChI=1S/C20H21N3O3S/c1-26-14-6-7-16-18(12-14)27-20(22-16)23-10-8-13(9-11-23)19(25)21-15-4-2-3-5-17(15)24/h2-7,12-13,24H,8-11H2,1H3,(H,21,25)
InChIKeyQAPMGRAVFLIGRI-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.87
Rot. Bonds4

About N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 90611504) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID90611504
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(N3CCC(C(=O)Nc4ccccc4O)CC3)sc2c1
InChIInChI=1S/C20H21N3O3S/c1-26-14-6-7-16-18(12-14)27-20(22-16)23-10-8-13(9-11-23)19(25)21-15-4-2-3-5-17(15)24/h2-7,12-13,24H,8-11H2,1H3,(H,21,25)
InChIKeyQAPMGRAVFLIGRI-UHFFFAOYSA-N
XLogP3.87
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90611521
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 90611573
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611532
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
1-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 43815637
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 90609784
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 90611616
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611602

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 90611504) is N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is COc1ccc2nc(N3CCC(C(=O)Nc4ccccc4O)CC3)sc2c1.
What is the InChIKey of N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QAPMGRAVFLIGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-14-6-7-16-18(12-14)27-20(22-16)23-10-8-13(9-11-23)19(25)21-15-4-2-3-5-17(15)24/h2-7,12-13,24H,8-11H2,1H3,(H,21,25).
What are the key properties of N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 90611504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).