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

C23H26N4O4S — CID 46338197

IUPAC1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C2=C(C)C(N3CCC(C(=O)NCc4ccccn4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-21(17-6-8-20(31-2)9-7-17)32(29,30)26-22(16)27-13-10-18(11-14-27)23(28)25-15-19-5-3-4-12-24-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,28)
InChIKeyFVSUXUSVVHXKLH-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.59
Rot. Bonds5

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

1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 46338197) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID46338197
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C2=C(C)C(N3CCC(C(=O)NCc4ccccn4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-21(17-6-8-20(31-2)9-7-17)32(29,30)26-22(16)27-13-10-18(11-14-27)23(28)25-15-19-5-3-4-12-24-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,28)
InChIKeyFVSUXUSVVHXKLH-UHFFFAOYSA-N
XLogP2.59
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 46338197) is 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(C2=C(C)C(N3CCC(C(=O)NCc4ccccn4)CC3)=NS2(=O)=O)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FVSUXUSVVHXKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-21(17-6-8-20(31-2)9-7-17)32(29,30)26-22(16)27-13-10-18(11-14-27)23(28)25-15-19-5-3-4-12-24-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,25,28).
What are the key properties of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).