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

C21H20ClN3O3S — CID 17119260

IUPAC1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)sc2c1
InChIInChI=1S/C21H20ClN3O3S/c1-28-16-6-7-17-18(12-16)29-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)
InChIKeyRCKMXMTYUQECAJ-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.45
Rot. Bonds4

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

1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 17119260) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
PubChem CID17119260
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)sc2c1
InChIInChI=1S/C21H20ClN3O3S/c1-28-16-6-7-17-18(12-16)29-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)
InChIKeyRCKMXMTYUQECAJ-UHFFFAOYSA-N
XLogP4.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 167759023
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
1-acetyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
CID 108743838
(2S)-1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 26857146
2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 6985910
1-(2-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26909695
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 24674567
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 17119260) is 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is COc1ccc2nc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)sc2c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is RCKMXMTYUQECAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-28-16-6-7-17-18(12-16)29-21(23-17)24-19(26)13-8-10-25(11-9-13)20(27)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,26).
What are the key properties of 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17119260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).