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

C22H22ClN3O2S — CID 25361437

IUPAC(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1
InChIInChI=1S/C22H22ClN3O2S/c1-2-14-5-10-18-19(12-14)29-22(24-18)25-20(27)16-4-3-11-26(13-16)21(28)15-6-8-17(23)9-7-15/h5-10,12,16H,2-4,11,13H2,1H3,(H,24,25,27)/t16-/m0/s1
InChIKeyKFNACFRDFOWPSL-INIZCTEOSA-N
MW427.96 g/mol
LogP5.00
Rot. Bonds4

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

(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 25361437) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID25361437
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1
InChIInChI=1S/C22H22ClN3O2S/c1-2-14-5-10-18-19(12-14)29-22(24-18)25-20(27)16-4-3-11-26(13-16)21(28)15-6-8-17(23)9-7-15/h5-10,12,16H,2-4,11,13H2,1H3,(H,24,25,27)/t16-/m0/s1
InChIKeyKFNACFRDFOWPSL-INIZCTEOSA-N
XLogP5.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-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

1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266782
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 167759023
1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17119260
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 25361437) is (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KFNACFRDFOWPSL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-2-14-5-10-18-19(12-14)29-22(24-18)25-20(27)16-4-3-11-26(13-16)21(28)15-6-8-17(23)9-7-15/h5-10,12,16H,2-4,11,13H2,1H3,(H,24,25,27)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 25361437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).