2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid

C15H21NO3S — CID 61009393

IUPAC2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCCc1cc(C(=O)N2CCCCC2CC(=O)O)sc1C
InChIInChI=1S/C15H21NO3S/c1-3-11-8-13(20-10(11)2)15(19)16-7-5-4-6-12(16)9-14(17)18/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyYXUQAGYTTGLISD-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61009393) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61009393
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCCc1cc(C(=O)N2CCCCC2CC(=O)O)sc1C
InChIInChI=1S/C15H21NO3S/c1-3-11-8-13(20-10(11)2)15(19)16-7-5-4-6-12(16)9-14(17)18/h8,12H,3-7,9H2,1-2H3,(H,17,18)
InChIKeyYXUQAGYTTGLISD-UHFFFAOYSA-N
XLogP3.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899329
N-[2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 87047179
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610
2-[1-(5-bromo-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79981389
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
2-[(2S)-1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 95358156
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 119467751
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid (CID 61009393) is 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid is CCc1cc(C(=O)N2CCCCC2CC(=O)O)sc1C.
What is the InChIKey of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is YXUQAGYTTGLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-11-8-13(20-10(11)2)15(19)16-7-5-4-6-12(16)9-14(17)18/h8,12H,3-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 295.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).