methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate

C15H21NO3S — CID 51112610

IUPACmethyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCCc1cc(C(=O)N2CCCCC2C(=O)OC)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-11-9-13(20-10(11)2)14(17)16-8-6-5-7-12(16)15(18)19-3/h9,12H,4-8H2,1-3H3
InChIKeyXILRSYIIKSQNCG-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.79
Rot. Bonds3

About methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate

methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate (PubChem CID 51112610) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
PubChem CID51112610
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCCc1cc(C(=O)N2CCCCC2C(=O)OC)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-11-9-13(20-10(11)2)14(17)16-8-6-5-7-12(16)15(18)19-3/h9,12H,4-8H2,1-3H3
InChIKeyXILRSYIIKSQNCG-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919176
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005656
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate
CID 79833093
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate (CID 51112610) is methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate is CCc1cc(C(=O)N2CCCCC2C(=O)OC)sc1C.
What is the InChIKey of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is XILRSYIIKSQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-11-9-13(20-10(11)2)14(17)16-8-6-5-7-12(16)15(18)19-3/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate?
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 51112610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).