methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate

C13H17NO4S — CID 78945868

IUPACmethyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1sccc1OC
InChIInChI=1S/C13H17NO4S/c1-17-10-6-8-19-11(10)12(15)14-7-4-3-5-9(14)13(16)18-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeySWVXIGWVNIVABE-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.92
Rot. Bonds3

About methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate

methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate (PubChem CID 78945868) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
PubChem CID78945868
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Namemethyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1sccc1OC
InChIInChI=1S/C13H17NO4S/c1-17-10-6-8-19-11(10)12(15)14-7-4-3-5-9(14)13(16)18-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeySWVXIGWVNIVABE-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl-[3-(difluoromethoxy)thiophen-2-yl]methanone
CID 122136981
Tert-butyl 2-[[3-(difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetate
CID 60259358
[1-[3-(Difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
CID 75387914
2-[(3-Methoxythiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81126516
[(3R)-1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
CID 97240849
[(3S)-1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
CID 97240850
2-[[3-(Difluoromethoxy)thiophene-2-carbonyl]-methylamino]acetic acid
CID 119172237
2-[[3-(Difluoromethoxy)thiophene-2-carbonyl]amino]butanoic acid
CID 119223824
2-[[3-(Difluoromethoxy)thiophene-2-carbonyl]-methylamino]propanoic acid
CID 119358556
2-[[3-(Difluoromethoxy)-5-methylthiophene-2-carbonyl]-methylamino]propanoic acid
CID 119359149
2-[[3-(Difluoromethoxy)thiophene-2-carbonyl]-ethylamino]acetic acid
CID 120121444
2-[[3-(Difluoromethoxy)thiophene-2-carbonyl]amino]pentanoic acid
CID 120236323

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate (CID 78945868) is methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1sccc1OC.
What is the InChIKey of methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is SWVXIGWVNIVABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-17-10-6-8-19-11(10)12(15)14-7-4-3-5-9(14)13(16)18-2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate?
methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 78945868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).