1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C22H22ClN3O4S — CID 24600025

IUPAC1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1cc2nc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2cc1OC
InChIInChI=1S/C22H22ClN3O4S/c1-29-17-10-16-19(11-18(17)30-2)31-22(24-16)25-20(27)14-4-3-9-26(12-14)21(28)13-5-7-15(23)8-6-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,24,25,27)
InChIKeyXDFALPAYXKLBLW-UHFFFAOYSA-N
MW459.96 g/mol
LogP4.46
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 24600025) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID24600025
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1cc2nc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2cc1OC
InChIInChI=1S/C22H22ClN3O4S/c1-29-17-10-16-19(11-18(17)30-2)31-22(24-16)25-20(27)14-4-3-9-26(12-14)21(28)13-5-7-15(23)8-6-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,24,25,27)
InChIKeyXDFALPAYXKLBLW-UHFFFAOYSA-N
XLogP4.46
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17119260
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266782
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16861769
(3S)-1-(4-chlorobenzoyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)piperidine-3-carboxamide
CID 31245852
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 41398144
(3S)-1-(4-chlorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-3-carboxamide
CID 2111778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 24600025) is 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is COc1cc2nc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2cc1OC.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is XDFALPAYXKLBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-29-17-10-16-19(11-18(17)30-2)31-22(24-16)25-20(27)14-4-3-9-26(12-14)21(28)13-5-7-15(23)8-6-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,24,25,27).
What are the key properties of 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 459.96 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 24600025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).