1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

C26H31N3O3S — CID 20887477

IUPAC1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2cccc(C)c2)CC1
InChIInChI=1S/C26H31N3O3S/c1-4-23-24(21-10-8-18(2)9-11-21)33(31,32)28-25(23)29-14-12-22(13-15-29)26(30)27-17-20-7-5-6-19(3)16-20/h5-11,16,22H,4,12-15,17H2,1-3H3,(H,27,30)
InChIKeyRMRNOXXRXPVDAB-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.19
Rot. Bonds5

About 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide

1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 20887477) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID20887477
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC Name1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2cccc(C)c2)CC1
InChIInChI=1S/C26H31N3O3S/c1-4-23-24(21-10-8-18(2)9-11-21)33(31,32)28-25(23)29-14-12-22(13-15-29)26(30)27-17-20-7-5-6-19(3)16-20/h5-11,16,22H,4,12-15,17H2,1-3H3,(H,27,30)
InChIKeyRMRNOXXRXPVDAB-UHFFFAOYSA-N
XLogP4.19
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20943232
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20887485
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20943242
N-(1H-benzimidazol-2-ylmethyl)-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20887497
N-[3-(diethylamino)propyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943229
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20943263
[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20887471
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46338198
N-[(3-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025243
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 71035260
1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20887317

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide (CID 20887477) is 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is CCC1=C(c2ccc(C)cc2)S(=O)(=O)N=C1N1CCC(C(=O)NCc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RMRNOXXRXPVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-4-23-24(21-10-8-18(2)9-11-21)33(31,32)28-25(23)29-14-12-22(13-15-29)26(30)27-17-20-7-5-6-19(3)16-20/h5-11,16,22H,4,12-15,17H2,1-3H3,(H,27,30).
What are the key properties of 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide?
1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20887477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).