1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide

C22H23N3O2S — CID 166383917

IUPAC1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide
SMILESCCc1nc2ccc(NC(=O)C3CCC(=O)N(Cc4ccccc4)C3)cc2s1
InChIInChI=1S/C22H23N3O2S/c1-2-20-24-18-10-9-17(12-19(18)28-20)23-22(27)16-8-11-21(26)25(14-16)13-15-6-4-3-5-7-15/h3-7,9-10,12,16H,2,8,11,13-14H2,1H3,(H,23,27)
InChIKeyJWNNUOBIAXFYHS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.24
Rot. Bonds5

About 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide

1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 166383917) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide
PubChem CID166383917
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide
SMILESCCc1nc2ccc(NC(=O)C3CCC(=O)N(Cc4ccccc4)C3)cc2s1
InChIInChI=1S/C22H23N3O2S/c1-2-20-24-18-10-9-17(12-19(18)28-20)23-22(27)16-8-11-21(26)25(14-16)13-15-6-4-3-5-7-15/h3-7,9-10,12,16H,2,8,11,13-14H2,1H3,(H,23,27)
InChIKeyJWNNUOBIAXFYHS-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-benzyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2466486
(3R)-1-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2089479
(3R)-N-(1,3-benzothiazol-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 8882783
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
1-benzyl-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108760829
(3R)-1-benzyl-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529257
2-[[6-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate
CID 3861360
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55628957
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
N-(3,4-dichlorophenyl)-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183358
1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide (CID 166383917) is 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide is CCc1nc2ccc(NC(=O)C3CCC(=O)N(Cc4ccccc4)C3)cc2s1.
What is the InChIKey of 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JWNNUOBIAXFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-20-24-18-10-9-17(12-19(18)28-20)23-22(27)16-8-11-21(26)25(14-16)13-15-6-4-3-5-7-15/h3-7,9-10,12,16H,2,8,11,13-14H2,1H3,(H,23,27).
What are the key properties of 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide?
1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-ethyl-1,3-benzothiazol-6-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 166383917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).