1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

C15H21NO3S — CID 104595206

IUPAC1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCc1sc(C(=O)N2CCCCC2(C)C(=O)O)cc1C
InChIInChI=1S/C15H21NO3S/c1-4-11-10(2)9-12(20-11)13(17)16-8-6-5-7-15(16,3)14(18)19/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyQJYIOVOMRHIVMG-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.09
Rot. Bonds3

About 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid

1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595206) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595206
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
SMILESCCc1sc(C(=O)N2CCCCC2(C)C(=O)O)cc1C
InChIInChI=1S/C15H21NO3S/c1-4-11-10(2)9-12(20-11)13(17)16-8-6-5-7-15(16,3)14(18)19/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyQJYIOVOMRHIVMG-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid (CID 104595206) is 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is CCc1sc(C(=O)N2CCCCC2(C)C(=O)O)cc1C.
What is the InChIKey of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is QJYIOVOMRHIVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-11-10(2)9-12(20-11)13(17)16-8-6-5-7-15(16,3)14(18)19/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid?
1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).