[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

C20H27N3OS — CID 20883887

IUPAC[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C)c2nc(N3CCC(C(=O)N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3OS/c1-14-12-15(2)18-17(13-14)25-20(21-18)23-10-6-16(7-11-23)19(24)22-8-4-3-5-9-22/h12-13,16H,3-11H2,1-2H3
InChIKeyOUILWELZJJJVGN-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.14
Rot. Bonds2

About [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 20883887) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID20883887
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C)c2nc(N3CCC(C(=O)N4CCCCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3OS/c1-14-12-15(2)18-17(13-14)25-20(21-18)23-10-6-16(7-11-23)19(24)22-8-4-3-5-9-22/h12-13,16H,3-11H2,1-2H3
InChIKeyOUILWELZJJJVGN-UHFFFAOYSA-N
XLogP4.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 6623341
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)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 20883955
[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166606166
2-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902520
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
N-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651052
[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 16826198
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 20883887) is [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone is Cc1cc(C)c2nc(N3CCC(C(=O)N4CCCCC4)CC3)sc2c1.
What is the InChIKey of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OUILWELZJJJVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-14-12-15(2)18-17(13-14)25-20(21-18)23-10-6-16(7-11-23)19(24)22-8-4-3-5-9-22/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 357.52 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 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)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 20883887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).