2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid

C14H19NO3S — CID 83198257

IUPAC2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C14H19NO3S/c1-14(2,13(17)18)11-4-3-6-15(8-11)12(16)10-5-7-19-9-10/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,17,18)
InChIKeyBQJKKVSTUQDXRB-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 83198257) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID83198257
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C14H19NO3S/c1-14(2,13(17)18)11-4-3-6-15(8-11)12(16)10-5-7-19-9-10/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,17,18)
InChIKeyBQJKKVSTUQDXRB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
2-[1-(3-bromobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198806
2-[1-(6-bromopyridine-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198667
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
2-[1-(2-chlorobenzoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198634
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 42306915
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid (CID 83198257) is 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid is CC(C)(C(=O)O)C1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is BQJKKVSTUQDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-14(2,13(17)18)11-4-3-6-15(8-11)12(16)10-5-7-19-9-10/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 281.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).