2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid

C14H19NO3S — CID 54899329

IUPAC2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCCCC2CC(=O)O)sc1C
InChIInChI=1S/C14H19NO3S/c1-9-7-12(19-10(9)2)14(18)15-6-4-3-5-11(15)8-13(16)17/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyAOXXYZDYCPDOJS-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.83
Rot. Bonds3

About 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899329) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899329
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1cc(C(=O)N2CCCCC2CC(=O)O)sc1C
InChIInChI=1S/C14H19NO3S/c1-9-7-12(19-10(9)2)14(18)15-6-4-3-5-11(15)8-13(16)17/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyAOXXYZDYCPDOJS-UHFFFAOYSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 61009393
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
2-[1-(5-bromo-4-methylthiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79981389
2-[1-(3-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899521
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
2-[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370453
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79802677
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
2-[1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61372450
2-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370883
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 80504585

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid (CID 54899329) is 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid is Cc1cc(C(=O)N2CCCCC2CC(=O)O)sc1C.
What is the InChIKey of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is AOXXYZDYCPDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-7-12(19-10(9)2)14(18)15-6-4-3-5-11(15)8-13(16)17/h7,11H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 281.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).