1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

C21H21Cl2N3O2S — CID 100533151

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21
InChIInChI=1S/C21H21Cl2N3O2S/c1-25-18-5-4-16(11-19(18)29-21(25)28)24-20(27)13-6-8-26(9-7-13)12-14-2-3-15(22)10-17(14)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,27)
InChIKeyQIGJBSWSEGVWPB-UHFFFAOYSA-N
MW450.39 g/mol
LogP4.76
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 100533151) has the molecular formula C21H21Cl2N3O2S and a molecular weight of 450.39 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID100533151
Molecular FormulaC21H21Cl2N3O2S
Molecular Weight450.39 g/mol
Exact Mass449.07
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21
InChIInChI=1S/C21H21Cl2N3O2S/c1-25-18-5-4-16(11-19(18)29-21(25)28)24-20(27)13-6-8-26(9-7-13)12-14-2-3-15(22)10-17(14)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,27)
InChIKeyQIGJBSWSEGVWPB-UHFFFAOYSA-N
XLogP4.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533215
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 100533092
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(2-chlorophenyl)methyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100557518
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
6-[4-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzothiazol-2-one;dihydrochloride
CID 24835441

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 100533151) is 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is Cn1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4Cl)CC3)ccc21.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is QIGJBSWSEGVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2S/c1-25-18-5-4-16(11-19(18)29-21(25)28)24-20(27)13-6-8-26(9-7-13)12-14-2-3-15(22)10-17(14)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,27).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 450.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 100533151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).