N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C21H22ClN3OS — CID 122176207

IUPACN-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)sc2c1
InChIInChI=1S/C21H22ClN3OS/c1-14-5-6-18-19(11-14)27-21(24-18)25-9-7-16(8-10-25)20(26)23-13-15-3-2-4-17(22)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,26)
InChIKeyVQBGPTVHMUAIES-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.79
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 122176207) has the molecular formula C21H22ClN3OS and a molecular weight of 399.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID122176207
Molecular FormulaC21H22ClN3OS
Molecular Weight399.95 g/mol
Exact Mass399.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccc2nc(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)sc2c1
InChIInChI=1S/C21H22ClN3OS/c1-14-5-6-18-19(11-14)27-21(24-18)25-9-7-16(8-10-25)20(26)23-13-15-3-2-4-17(22)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,26)
InChIKeyVQBGPTVHMUAIES-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611356
1-(6-bromo-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20886642
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
1-(6-chloro-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4609437
1-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 90611407
N-(3,3-diphenylpropyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611269
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90611413
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 22422089
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
2-[4-[(2-methoxy-4-pyridinyl)methylcarbamoyl]piperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 166127568
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611566

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 122176207) is N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is Cc1ccc2nc(N3CCC(C(=O)NCc4cccc(Cl)c4)CC3)sc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VQBGPTVHMUAIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3OS/c1-14-5-6-18-19(11-14)27-21(24-18)25-9-7-16(8-10-25)20(26)23-13-15-3-2-4-17(22)12-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 399.95 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 122176207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).