2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid

C14H19NO3S — CID 62689906

IUPAC2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1cc(C(=O)N2CCCC(CC(=O)O)C2)c(C)s1
InChIInChI=1S/C14H19NO3S/c1-9-6-12(10(2)19-9)14(18)15-5-3-4-11(8-15)7-13(16)17/h6,11H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyNALUZGAHAAZSNB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.69
Rot. Bonds3

About 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62689906) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62689906
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid
SMILESCc1cc(C(=O)N2CCCC(CC(=O)O)C2)c(C)s1
InChIInChI=1S/C14H19NO3S/c1-9-6-12(10(2)19-9)14(18)15-5-3-4-11(8-15)7-13(16)17/h6,11H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyNALUZGAHAAZSNB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689218
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
3-[1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperidin-3-yl]propanoic acid
CID 120689666
2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62691270
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
2-[1-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]piperidin-4-yl]acetic acid
CID 120684696
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid (CID 62689906) is 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid is Cc1cc(C(=O)N2CCCC(CC(=O)O)C2)c(C)s1.
What is the InChIKey of 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is NALUZGAHAAZSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-6-12(10(2)19-9)14(18)15-5-3-4-11(8-15)7-13(16)17/h6,11H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 281.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylthiophene-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).