[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C22H31N3OS — CID 6623341

IUPAC[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2nc(N3CCC(C(=O)N4CC(C)CC(C)C4)CC3)sc2c1
InChIInChI=1S/C22H31N3OS/c1-14-10-17(4)20-19(11-14)27-22(23-20)24-7-5-18(6-8-24)21(26)25-12-15(2)9-16(3)13-25/h10-11,15-16,18H,5-9,12-13H2,1-4H3
InChIKeyPMBPVHZGYBCIAR-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.63
Rot. Bonds2

About [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 6623341) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID6623341
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC Name[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2nc(N3CCC(C(=O)N4CC(C)CC(C)C4)CC3)sc2c1
InChIInChI=1S/C22H31N3OS/c1-14-10-17(4)20-19(11-14)27-22(23-20)24-7-5-18(6-8-24)21(26)25-12-15(2)9-16(3)13-25/h10-11,15-16,18H,5-9,12-13H2,1-4H3
InChIKeyPMBPVHZGYBCIAR-UHFFFAOYSA-N
XLogP4.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.63
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]-piperidin-1-ylmethanone
CID 20883887
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
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
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 20883955
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
S-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate
CID 16949247
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 20883932
[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 16826198
1-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7539840
[1-(4-methyl-1,3-benzothiazol-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354169

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 6623341) is [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is Cc1cc(C)c2nc(N3CCC(C(=O)N4CC(C)CC(C)C4)CC3)sc2c1.
What is the InChIKey of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is PMBPVHZGYBCIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-14-10-17(4)20-19(11-14)27-22(23-20)24-7-5-18(6-8-24)21(26)25-12-15(2)9-16(3)13-25/h10-11,15-16,18H,5-9,12-13H2,1-4H3.
What are the key properties of [1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 385.58 g/mol, XLogP of 4.63, 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]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 6623341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).