N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

C20H17BrClN3O2S — CID 167759023

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H17BrClN3O2S/c21-14-3-6-16-17(11-14)28-20(23-16)24-18(26)12-7-9-25(10-8-12)19(27)13-1-4-15(22)5-2-13/h1-6,11-12H,7-10H2,(H,23,24,26)
InChIKeyGQMVMGNHMPSXRB-UHFFFAOYSA-N
MW478.80 g/mol
LogP5.20
Rot. Bonds3

About N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 167759023) has the molecular formula C20H17BrClN3O2S and a molecular weight of 478.80 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID167759023
Molecular FormulaC20H17BrClN3O2S
Molecular Weight478.80 g/mol
Exact Mass476.99
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H17BrClN3O2S/c21-14-3-6-16-17(11-14)28-20(23-16)24-18(26)12-7-9-25(10-8-12)19(27)13-1-4-15(22)5-2-13/h1-6,11-12H,7-10H2,(H,23,24,26)
InChIKeyGQMVMGNHMPSXRB-UHFFFAOYSA-N
XLogP5.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17119260
1-acetyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 108743838
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119229
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 50767396
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 16831566
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2505907
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17119295

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide (CID 167759023) is N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide is O=C(Nc1nc2ccc(Br)cc2s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is GQMVMGNHMPSXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O2S/c21-14-3-6-16-17(11-14)28-20(23-16)24-18(26)12-7-9-25(10-8-12)19(27)13-1-4-15(22)5-2-13/h1-6,11-12H,7-10H2,(H,23,24,26).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 478.80 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 167759023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).