methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate

C15H21NO3S — CID 78919176

IUPACmethyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCCc1cc(C(=O)N2CCCC(C(=O)OC)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-11-8-13(20-10(11)2)14(17)16-7-5-6-12(9-16)15(18)19-3/h8,12H,4-7,9H2,1-3H3
InChIKeyADBQSRMAVSVRBS-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.64
Rot. Bonds3

About methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate

methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate (PubChem CID 78919176) 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-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
PubChem CID78919176
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate
SMILESCCc1cc(C(=O)N2CCCC(C(=O)OC)C2)sc1C
InChIInChI=1S/C15H21NO3S/c1-4-11-8-13(20-10(11)2)14(17)16-7-5-6-12(9-16)15(18)19-3/h8,12H,4-7,9H2,1-3H3
InChIKeyADBQSRMAVSVRBS-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 34324943
(3S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917459
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
ethyl 1-(5-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 43409448
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
methyl (3S)-1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxylate
CID 104853374
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate (CID 78919176) is methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate is CCc1cc(C(=O)N2CCCC(C(=O)OC)C2)sc1C.
What is the InChIKey of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is ADBQSRMAVSVRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-11-8-13(20-10(11)2)14(17)16-7-5-6-12(9-16)15(18)19-3/h8,12H,4-7,9H2,1-3H3.
What are the key properties of methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate?
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.64, 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-3-carboxylate is sourced from PubChem (CID 78919176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).