1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C20H20FN3O2S — CID 90609784

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C20H20FN3O2S/c1-26-17-5-3-2-4-15(17)22-19(25)13-8-10-24(11-9-13)20-23-16-7-6-14(21)12-18(16)27-20/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyRPAKIPYSXPDHNV-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.30
Rot. Bonds4

About 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 90609784) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID90609784
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C20H20FN3O2S/c1-26-17-5-3-2-4-15(17)22-19(25)13-8-10-24(11-9-13)20-23-16-7-6-14(21)12-18(16)27-20/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyRPAKIPYSXPDHNV-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 90611573
N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611504
methyl 4-[[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609797
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-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90610267
methyl 2-[[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90611521
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90609789
N-(6-chloro-3-pyridinyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609907
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 7539147

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 90609784) is 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is RPAKIPYSXPDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-26-17-5-3-2-4-15(17)22-19(25)13-8-10-24(11-9-13)20-23-16-7-6-14(21)12-18(16)27-20/h2-7,12-13H,8-11H2,1H3,(H,22,25).
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 90609784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).