(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid

C15H15NO3S — CID 51888539

IUPAC(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H15NO3S/c17-14(16-8-4-3-6-11(16)15(18)19)13-9-10-5-1-2-7-12(10)20-13/h1-2,5,7,9,11H,3-4,6,8H2,(H,18,19)/t11-/m1/s1
InChIKeyIEBWENZOLZWAGI-LLVKDONJSA-N
MW289.36 g/mol
LogP2.98
Rot. Bonds2

About (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 51888539) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID51888539
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1cc2ccccc2s1
InChIInChI=1S/C15H15NO3S/c17-14(16-8-4-3-6-11(16)15(18)19)13-9-10-5-1-2-7-12(10)20-13/h1-2,5,7,9,11H,3-4,6,8H2,(H,18,19)/t11-/m1/s1
InChIKeyIEBWENZOLZWAGI-LLVKDONJSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 78979821
1-(1-benzothiophene-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741898
1-benzothiophen-2-yl-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 142269608
1-(1-benzothiophene-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43172308
tert-butyl (2S)-2-(1-benzothiophene-2-carbonyl)piperidine-1-carboxylate
CID 66967843
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
(2S)-1-(5-bromo-4-methylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79982145
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
(2S)-1-[5-(1-benzothiophen-2-yl)-3-benzoylsulfanyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 54209654
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid (CID 51888539) is (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1cc2ccccc2s1.
What is the InChIKey of (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is IEBWENZOLZWAGI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(16-8-4-3-6-11(16)15(18)19)13-9-10-5-1-2-7-12(10)20-13/h1-2,5,7,9,11H,3-4,6,8H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-benzothiophene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 51888539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).