1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide

C23H27N3OS — CID 20883932

IUPAC1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3nc4c(C)cc(C)cc4s3)CC2)c1
InChIInChI=1S/C23H27N3OS/c1-4-17-6-5-7-19(14-17)24-22(27)18-8-10-26(11-9-18)23-25-21-16(3)12-15(2)13-20(21)28-23/h5-7,12-14,18H,4,8-11H2,1-3H3,(H,24,27)
InChIKeyZVPAUELIVLMTBF-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.33
Rot. Bonds4

About 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide

1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide (PubChem CID 20883932) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
PubChem CID20883932
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1cccc(NC(=O)C2CCN(c3nc4c(C)cc(C)cc4s3)CC2)c1
InChIInChI=1S/C23H27N3OS/c1-4-17-6-5-7-19(14-17)24-22(27)18-8-10-26(11-9-18)23-25-21-16(3)12-15(2)13-20(21)28-23/h5-7,12-14,18H,4,8-11H2,1-3H3,(H,24,27)
InChIKeyZVPAUELIVLMTBF-UHFFFAOYSA-N
XLogP5.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609531
N-(3-ethylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384741
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 20883955
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 20883969
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 90609534
N-(2,6-dimethylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609574
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 20883887
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 90609526
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 6623341
1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide (CID 20883932) is 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide is CCc1cccc(NC(=O)C2CCN(c3nc4c(C)cc(C)cc4s3)CC2)c1.
What is the InChIKey of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is ZVPAUELIVLMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-4-17-6-5-7-19(14-17)24-22(27)18-8-10-26(11-9-18)23-25-21-16(3)12-15(2)13-20(21)28-23/h5-7,12-14,18H,4,8-11H2,1-3H3,(H,24,27).
What are the key properties of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide?
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 393.56 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20883932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).