1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid

C15H23NO2S — CID 65064663

IUPAC1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCc1ccc(C(C)N2CCC(C)(C(=O)O)CC2)s1
InChIInChI=1S/C15H23NO2S/c1-4-12-5-6-13(19-12)11(2)16-9-7-15(3,8-10-16)14(17)18/h5-6,11H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyYHDGKAZAVMYDIZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.56
Rot. Bonds4

About 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid

1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 65064663) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID65064663
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCc1ccc(C(C)N2CCC(C)(C(=O)O)CC2)s1
InChIInChI=1S/C15H23NO2S/c1-4-12-5-6-13(19-12)11(2)16-9-7-15(3,8-10-16)14(17)18/h5-6,11H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyYHDGKAZAVMYDIZ-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[1-(5-ethylthiophen-2-yl)ethyl]piperazin-1-yl]propanoic acid
CID 65053856
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064411
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
1-[1-(5-ethylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 62069492
1-[1-(5-ethylthiophen-2-yl)ethyl]-3,5-dimethylpiperazine
CID 63863302
1-[1-(4-methoxyphenyl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65065150
2-[4-[1-(5-ethylthiophen-2-yl)ethyl]thiomorpholin-3-yl]acetic acid
CID 66422373
1-(5-ethylthiophene-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133849
4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 65065296
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
1-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064656
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid (CID 65064663) is 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid is CCc1ccc(C(C)N2CCC(C)(C(=O)O)CC2)s1.
What is the InChIKey of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is YHDGKAZAVMYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-12-5-6-13(19-12)11(2)16-9-7-15(3,8-10-16)14(17)18/h5-6,11H,4,7-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid?
1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 281.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65064663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).