N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C21H22ClN3O2S — CID 20883798

IUPACN-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)Nc4ccccc4Cl)C3)sc2c1
InChIInChI=1S/C21H22ClN3O2S/c1-2-27-15-9-10-18-19(12-15)28-21(24-18)25-11-5-6-14(13-25)20(26)23-17-8-4-3-7-16(17)22/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,23,26)
InChIKeyYHYSVCVJBGTEIX-UHFFFAOYSA-N
MW415.95 g/mol
LogP5.20
Rot. Bonds5

About N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20883798) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID20883798
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC NameN-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)Nc4ccccc4Cl)C3)sc2c1
InChIInChI=1S/C21H22ClN3O2S/c1-2-27-15-9-10-18-19(12-15)28-21(24-18)25-11-5-6-14(13-25)20(26)23-17-8-4-3-7-16(17)22/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,23,26)
InChIKeyYHYSVCVJBGTEIX-UHFFFAOYSA-N
XLogP5.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(5-chloro-2-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667728
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667739
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 20883813
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124771992
N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883828
(4-benzylpiperidin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667758
(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 124772392
(3,5-dimethylpiperidin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 20883866
(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 20883798) is N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCOc1ccc2nc(N3CCCC(C(=O)Nc4ccccc4Cl)C3)sc2c1.
What is the InChIKey of N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is YHYSVCVJBGTEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-2-27-15-9-10-18-19(12-15)28-21(24-18)25-11-5-6-14(13-25)20(26)23-17-8-4-3-7-16(17)22/h3-4,7-10,12,14H,2,5-6,11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 415.95 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20883798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).