6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid

C16H23NO3S — CID 122083821

IUPAC6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCCc1cc(C(=O)N2CC(C(=O)O)CCC2C)sc1C
InChIInChI=1S/C16H23NO3S/c1-4-5-12-8-14(21-11(12)3)15(18)17-9-13(16(19)20)7-6-10(17)2/h8,10,13H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyLMKOJDNTRNVOGV-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.33
Rot. Bonds4

About 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid

6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122083821) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID122083821
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCCc1cc(C(=O)N2CC(C(=O)O)CCC2C)sc1C
InChIInChI=1S/C16H23NO3S/c1-4-5-12-8-14(21-11(12)3)15(18)17-9-13(16(19)20)7-6-10(17)2/h8,10,13H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyLMKOJDNTRNVOGV-UHFFFAOYSA-N
XLogP3.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 122083821) is 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid is CCCc1cc(C(=O)N2CC(C(=O)O)CCC2C)sc1C.
What is the InChIKey of 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is LMKOJDNTRNVOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-5-12-8-14(21-11(12)3)15(18)17-9-13(16(19)20)7-6-10(17)2/h8,10,13H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid?
6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-methyl-4-propylthiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122083821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).