N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide

C21H19F2N3O3S — CID 46416335

IUPACN-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C21H19F2N3O3S/c22-20(23)29-16-9-3-1-7-14(16)19(28)26-11-5-6-13(12-26)18(27)25-21-24-15-8-2-4-10-17(15)30-21/h1-4,7-10,13,20H,5-6,11-12H2,(H,24,25,27)
InChIKeyUDMTYJYGRULPQQ-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.39
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide (PubChem CID 46416335) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
PubChem CID46416335
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C21H19F2N3O3S/c22-20(23)29-16-9-3-1-7-14(16)19(28)26-11-5-6-13(12-26)18(27)25-21-24-15-8-2-4-10-17(15)30-21/h1-4,7-10,13,20H,5-6,11-12H2,(H,24,25,27)
InChIKeyUDMTYJYGRULPQQ-UHFFFAOYSA-N
XLogP4.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.39
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-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide (CID 46416335) is N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide is O=C(Nc1nc2ccccc2s1)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The InChIKey is UDMTYJYGRULPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-20(23)29-16-9-3-1-7-14(16)19(28)26-11-5-6-13(12-26)18(27)25-21-24-15-8-2-4-10-17(15)30-21/h1-4,7-10,13,20H,5-6,11-12H2,(H,24,25,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 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-(difluoromethoxy)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 46416335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).