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

C25H29N3O4S — CID 92749350

IUPAC1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C2=C(C)C(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C25H29N3O4S/c1-17-23(20-9-11-22(32-3)12-10-20)33(30,31)27-24(17)28-15-13-21(14-16-28)25(29)26-18(2)19-7-5-4-6-8-19/h4-12,18,21H,13-16H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyLVKLLHAPIKJWLX-GOSISDBHSA-N
MW467.59 g/mol
LogP3.76
Rot. Bonds5

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

1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 92749350) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID92749350
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C2=C(C)C(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)=NS2(=O)=O)cc1
InChIInChI=1S/C25H29N3O4S/c1-17-23(20-9-11-22(32-3)12-10-20)33(30,31)27-24(17)28-15-13-21(14-16-28)25(29)26-18(2)19-7-5-4-6-8-19/h4-12,18,21H,13-16H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyLVKLLHAPIKJWLX-GOSISDBHSA-N
XLogP3.76
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-methoxypropyl)piperidine-4-carboxamide
CID 46338211
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)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95101565
1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20943072
1-[1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 46338220
5-(4-methoxyphenyl)-4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512229
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidine-4-carboxamide
CID 22512595
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 92749350) is 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is COc1ccc(C2=C(C)C(N3CCC(C(=O)N[C@H](C)c4ccccc4)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-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is LVKLLHAPIKJWLX-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-17-23(20-9-11-22(32-3)12-10-20)33(30,31)27-24(17)28-15-13-21(14-16-28)25(29)26-18(2)19-7-5-4-6-8-19/h4-12,18,21H,13-16H2,1-3H3,(H,26,29)/t18-/m1/s1.
What are the key properties of 1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
1-[5-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 92749350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).