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

C21H29N3O5S — CID 46338211

IUPAC1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1
InChIInChI=1S/C21H29N3O5S/c1-15-19(16-5-7-18(29-3)8-6-16)30(26,27)23-20(15)24-12-9-17(10-13-24)21(25)22-11-4-14-28-2/h5-8,17H,4,9-14H2,1-3H3,(H,22,25)
InChIKeyIFIAPFCMDRQCFJ-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.03
Rot. Bonds7

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

1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 46338211) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID46338211
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1
InChIInChI=1S/C21H29N3O5S/c1-15-19(16-5-7-18(29-3)8-6-16)30(26,27)23-20(15)24-12-9-17(10-13-24)21(25)22-11-4-14-28-2/h5-8,17H,4,9-14H2,1-3H3,(H,22,25)
InChIKeyIFIAPFCMDRQCFJ-UHFFFAOYSA-N
XLogP2.03
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-(3-ethoxypropyl)-1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carboxamide
CID 20943213
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46338198
1-(3-methoxypropyl)-3-[1-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187001
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92749350
1-[1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-(3-methoxypropyl)urea
CID 53186994
1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46338220
1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20943115
1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 53038507
5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512229
N-benzyl-1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-methylpiperidine-4-carboxamide
CID 46338219

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 46338211) is 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C2=NS(=O)(=O)C(c3ccc(OC)cc3)=C2C)CC1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is IFIAPFCMDRQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-15-19(16-5-7-18(29-3)8-6-16)30(26,27)23-20(15)24-12-9-17(10-13-24)21(25)22-11-4-14-28-2/h5-8,17H,4,9-14H2,1-3H3,(H,22,25).
What are the key properties of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.03, 7 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-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46338211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).