1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide

C23H30N4O5S — CID 46338220

IUPAC1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(C2=C(C)C(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C23H30N4O5S/c1-15-20(16-3-5-19(32-2)6-4-16)33(30,31)25-22(15)26-11-9-18(10-12-26)23(29)27-13-7-17(8-14-27)21(24)28/h3-6,17-18H,7-14H2,1-2H3,(H2,24,28)
InChIKeyZSNGRIIFSRLYLS-UHFFFAOYSA-N
MW474.58 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 46338220) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID46338220
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(C2=C(C)C(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C23H30N4O5S/c1-15-20(16-3-5-19(32-2)6-4-16)33(30,31)25-22(15)26-11-9-18(10-12-26)23(29)27-13-7-17(8-14-27)21(24)28/h3-6,17-18H,7-14H2,1-2H3,(H2,24,28)
InChIKeyZSNGRIIFSRLYLS-UHFFFAOYSA-N
XLogP1.60
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidine-4-carboxamide
CID 22512595
5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512229
[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 20943094
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46338211
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46338206
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 46338229
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46338198
N-benzyl-1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-methylpiperidine-4-carboxamide
CID 46338219
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92749350
3-(4-cyclohexylpiperazin-1-yl)-5-(4-methoxyphenyl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 22512216
[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-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide (CID 46338220) is 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide is COc1ccc(C2=C(C)C(N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)=NS2(=O)=O)cc1.
What is the InChIKey of 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZSNGRIIFSRLYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-15-20(16-3-5-19(32-2)6-4-16)33(30,31)25-22(15)26-11-9-18(10-12-26)23(29)27-13-7-17(8-14-27)21(24)28/h3-6,17-18H,7-14H2,1-2H3,(H2,24,28).
What are the key properties of 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 46338220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).