1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

C22H23N3O2S — CID 126781974

IUPAC1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2s1
InChIInChI=1S/C22H23N3O2S/c1-15-23-19-9-8-18(14-20(19)28-15)24(2)21(26)17-10-12-25(13-11-17)22(27)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3
InChIKeyWBOUYICZIWDYFH-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.12
Rot. Bonds3

About 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 126781974) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID126781974
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2s1
InChIInChI=1S/C22H23N3O2S/c1-15-23-19-9-8-18(14-20(19)28-15)24(2)21(26)17-10-12-25(13-11-17)22(27)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3
InChIKeyWBOUYICZIWDYFH-UHFFFAOYSA-N
XLogP4.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 126775273
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
1-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153943
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39550662
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 136536370
4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 86804697
1-(2,6-dimethoxybenzoyl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 113006226
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 126781974) is 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is Cc1nc2ccc(N(C)C(=O)C3CCN(C(=O)c4ccccc4)CC3)cc2s1.
What is the InChIKey of 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is WBOUYICZIWDYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-15-23-19-9-8-18(14-20(19)28-15)24(2)21(26)17-10-12-25(13-11-17)22(27)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3.
What are the key properties of 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126781974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).