N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C23H23F2N3O3S — CID 34264337

IUPACN-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc2ccccc2s1
InChIInChI=1S/C23H23F2N3O3S/c1-31-13-12-28(23-26-19-4-2-3-5-20(19)32-23)21(29)15-8-10-27(11-9-15)22(30)17-7-6-16(24)14-18(17)25/h2-7,14-15H,8-13H2,1H3
InChIKeyAMPCTXDLHXFHHO-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.11
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 34264337) has the molecular formula C23H23F2N3O3S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID34264337
Molecular FormulaC23H23F2N3O3S
Molecular Weight459.52 g/mol
Exact Mass459.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc2ccccc2s1
InChIInChI=1S/C23H23F2N3O3S/c1-31-13-12-28(23-26-19-4-2-3-5-20(19)32-23)21(29)15-8-10-27(11-9-15)22(30)17-7-6-16(24)14-18(17)25/h2-7,14-15H,8-13H2,1H3
InChIKeyAMPCTXDLHXFHHO-UHFFFAOYSA-N
XLogP4.11
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
CID 34264564
1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134062497
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16863665
(2R,3R)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyloxane-3-carboxamide
CID 99795891
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855442
[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 31790910
(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone
CID 163339027
N-(1,3-benzothiazol-2-yl)-2-tert-butylsulfanyl-N-(2-methoxyethyl)acetamide
CID 86921353
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
1-(2,4-difluorobenzoyl)-N-(2,4-dimethylphenyl)-N-ethylpiperidine-4-carboxamide
CID 55593155
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55546272

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 34264337) is N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is AMPCTXDLHXFHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S/c1-31-13-12-28(23-26-19-4-2-3-5-20(19)32-23)21(29)15-8-10-27(11-9-15)22(30)17-7-6-16(24)14-18(17)25/h2-7,14-15H,8-13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 34264337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).