N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

C21H21N3O2S — CID 8882216

IUPACN-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1
InChIInChI=1S/C21H21N3O2S/c1-14-6-2-3-7-16(14)20(26)24-12-10-15(11-13-24)19(25)23-21-22-17-8-4-5-9-18(17)27-21/h2-9,15H,10-13H2,1H3,(H,22,23,25)
InChIKeyZRBLYVBCOQOPNE-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.10
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 8882216) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID8882216
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1
InChIInChI=1S/C21H21N3O2S/c1-14-6-2-3-7-16(14)20(26)24-12-10-15(11-13-24)19(25)23-21-22-17-8-4-5-9-18(17)27-21/h2-9,15H,10-13H2,1H3,(H,22,23,25)
InChIKeyZRBLYVBCOQOPNE-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2505907
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 17491150
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
1-(furan-2-carbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 6463050
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 8882216) is N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nc3ccccc3s2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is ZRBLYVBCOQOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-6-2-3-7-16(14)20(26)24-12-10-15(11-13-24)19(25)23-21-22-17-8-4-5-9-18(17)27-21/h2-9,15H,10-13H2,1H3,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 8882216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).