methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate

C18H24N2O6S — CID 7634585

IUPACmethyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)CC1
InChIInChI=1S/C18H24N2O6S/c1-10-11(2)27-16(19-12(3)21)15(10)18(24)26-9-14(22)20-7-5-13(6-8-20)17(23)25-4/h13H,5-9H2,1-4H3,(H,19,21)
InChIKeyCYIOQSQORGCLAF-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.89
Rot. Bonds5

About methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate

methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 7634585) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID7634585
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Namemethyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)CC1
InChIInChI=1S/C18H24N2O6S/c1-10-11(2)27-16(19-12(3)21)15(10)18(24)26-9-14(22)20-7-5-13(6-8-20)17(23)25-4/h13H,5-9H2,1-4H3,(H,19,21)
InChIKeyCYIOQSQORGCLAF-UHFFFAOYSA-N
XLogP1.89
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2700889
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483658
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 18074129
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 39413564
1-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122078600
ethyl (3R)-1-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-3-carboxylate
CID 31899538
ethyl 1-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]piperidine-3-carboxylate
CID 42885610
methyl 1-[2-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 30118416
[2-(4-acetamidoanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483644
[2-(1-adamantylamino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 3941518
methyl 1-[2-(1-benzothiophene-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7887288
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 39882327

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate (CID 7634585) is methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)CC1.
What is the InChIKey of methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is CYIOQSQORGCLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-10-11(2)27-16(19-12(3)21)15(10)18(24)26-9-14(22)20-7-5-13(6-8-20)17(23)25-4/h13H,5-9H2,1-4H3,(H,19,21).
What are the key properties of methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 396.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-acetamido-4,5-dimethylthiophene-3-carbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7634585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).