1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C23H25N3O2S — CID 46491452

IUPAC1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3nc4ccc(C)cc4s3)C2)c1
InChIInChI=1S/C23H25N3O2S/c1-14-6-7-19-20(12-14)29-23(24-19)25-21(27)17-5-4-8-26(13-17)22(28)18-10-15(2)9-16(3)11-18/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,24,25,27)
InChIKeyKBWBAYHAGIQMME-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.71
Rot. Bonds3

About 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 46491452) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID46491452
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3nc4ccc(C)cc4s3)C2)c1
InChIInChI=1S/C23H25N3O2S/c1-14-6-7-19-20(12-14)29-23(24-19)25-21(27)17-5-4-8-26(13-17)22(28)18-10-15(2)9-16(3)11-18/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,24,25,27)
InChIKeyKBWBAYHAGIQMME-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55853347
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
1-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981004
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51083875

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 46491452) is 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)Nc3nc4ccc(C)cc4s3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is KBWBAYHAGIQMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-14-6-7-19-20(12-14)29-23(24-19)25-21(27)17-5-4-8-26(13-17)22(28)18-10-15(2)9-16(3)11-18/h6-7,9-12,17H,4-5,8,13H2,1-3H3,(H,24,25,27).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46491452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).