1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide

C22H24N4O3S — CID 46491516

IUPAC1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1
InChIInChI=1S/C22H24N4O3S/c1-25(2)22(28)26-12-10-15(11-13-26)20(27)24-21-23-18-9-8-17(14-19(18)30-21)29-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyRYFXLRUGCHHFPW-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.42
Rot. Bonds4

About 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide

1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 46491516) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID46491516
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1
InChIInChI=1S/C22H24N4O3S/c1-25(2)22(28)26-12-10-15(11-13-26)20(27)24-21-23-18-9-8-17(14-19(18)30-21)29-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27)
InChIKeyRYFXLRUGCHHFPW-UHFFFAOYSA-N
XLogP4.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 46586048
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55857604
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2505907
1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17119260
2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
cis-(1R,2S)-2-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 97016318
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
3-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 17488727
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide (CID 46491516) is 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1.
What is the InChIKey of 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is RYFXLRUGCHHFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-25(2)22(28)26-12-10-15(11-13-26)20(27)24-21-23-18-9-8-17(14-19(18)30-21)29-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,27).
What are the key properties of 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46491516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).