methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate

C18H25NO5S — CID 174782920

IUPACmethyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C(=O)C2CCN(OC(=O)C(C)(C)C)CC2)c1C
InChIInChI=1S/C18H25NO5S/c1-11-13(16(21)23-5)10-25-15(11)14(20)12-6-8-19(9-7-12)24-17(22)18(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyAPZNNOYEDXRLEI-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.24
Rot. Bonds4

About methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate

methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate (PubChem CID 174782920) has the molecular formula C18H25NO5S and a molecular weight of 367.47 g/mol. Its IUPAC name is methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
PubChem CID174782920
Molecular FormulaC18H25NO5S
Molecular Weight367.47 g/mol
Exact Mass367.15
IUPAC Namemethyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(C(=O)C2CCN(OC(=O)C(C)(C)C)CC2)c1C
InChIInChI=1S/C18H25NO5S/c1-11-13(16(21)23-5)10-25-15(11)14(20)12-6-8-19(9-7-12)24-17(22)18(2,3)4/h10,12H,6-9H2,1-5H3
InChIKeyAPZNNOYEDXRLEI-UHFFFAOYSA-N
XLogP3.24
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
CID 144740528
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)ethenyl]piperidine-1-carboxylate
CID 121314985
tert-butyl 4-[1-(4-methoxycarbonyl-3-methylthiophen-2-yl)prop-1-enyl]piperidine-1-carboxylate
CID 123447566
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
methyl 5-[1-(1-tert-butylpiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
CID 157104482
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
[4-(5-fluorothiophene-2-carbonyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175261398
methyl 5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-4-methylthiophene-3-carboxylate
CID 121305291
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
methyl 5-[2-(1-benzoyloxypiperidin-4-yl)pyrrolidin-1-yl]-4-methylthiophene-3-carboxylate
CID 163846952
methyl 4-methyl-5-[(E)-1-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]prop-2-enyl]cyclohexyl]prop-1-enyl]thiophene-3-carboxylate
CID 144740494
methyl 5-[1-(1-benzoyloxypiperidin-4-ylidene)propyl]-4-methylthiophene-3-carboxylate
CID 121305227

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate (CID 174782920) is methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate is COC(=O)c1csc(C(=O)C2CCN(OC(=O)C(C)(C)C)CC2)c1C.
What is the InChIKey of methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate?
The InChIKey is APZNNOYEDXRLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5S/c1-11-13(16(21)23-5)10-25-15(11)14(20)12-6-8-19(9-7-12)24-17(22)18(2,3)4/h10,12H,6-9H2,1-5H3.
What are the key properties of methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate?
methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate has a molecular weight of 367.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2,2-dimethylpropanoyloxy)piperidine-4-carbonyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 174782920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).