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

C23H33N3O2S — CID 20883828

IUPACN-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)NC4CCCC(C)C4C)C3)sc2c1
InChIInChI=1S/C23H33N3O2S/c1-4-28-18-10-11-20-21(13-18)29-23(25-20)26-12-6-8-17(14-26)22(27)24-19-9-5-7-15(2)16(19)3/h10-11,13,15-17,19H,4-9,12,14H2,1-3H3,(H,24,27)
InChIKeyDRVOFXARYBXQGL-UHFFFAOYSA-N
MW415.60 g/mol
LogP4.85
Rot. Bonds5

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

N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 20883828) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID20883828
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCCOc1ccc2nc(N3CCCC(C(=O)NC4CCCC(C)C4C)C3)sc2c1
InChIInChI=1S/C23H33N3O2S/c1-4-28-18-10-11-20-21(13-18)29-23(25-20)26-12-6-8-17(14-26)22(27)24-19-9-5-7-15(2)16(19)3/h10-11,13,15-17,19H,4-9,12,14H2,1-3H3,(H,24,27)
InChIKeyDRVOFXARYBXQGL-UHFFFAOYSA-N
XLogP4.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 124771992
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 20883813
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
[(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
N-(2-chlorophenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883798
(3S)-N-(5-chloro-2-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667728
(4-benzylpiperidin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667758
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 92667739
(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175651152

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 20883828) is N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is CCOc1ccc2nc(N3CCCC(C(=O)NC4CCCC(C)C4C)C3)sc2c1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is DRVOFXARYBXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-4-28-18-10-11-20-21(13-18)29-23(25-20)26-12-6-8-17(14-26)22(27)24-19-9-5-7-15(2)16(19)3/h10-11,13,15-17,19H,4-9,12,14H2,1-3H3,(H,24,27).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 415.60 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 20883828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).