4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid

C11H15NO2S — CID 117258414

IUPAC4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(Cc2cccs2)CCN1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-7-8(3-4-12-10)6-9-2-1-5-15-9/h1-2,5,8,10,12H,3-4,6-7H2,(H,13,14)
InChIKeyLKFMAXDMEFNMGE-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.74
Rot. Bonds3

About 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid

4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 117258414) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
PubChem CID117258414
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(Cc2cccs2)CCN1
InChIInChI=1S/C11H15NO2S/c13-11(14)10-7-8(3-4-12-10)6-9-2-1-5-15-9/h1-2,5,8,10,12H,3-4,6-7H2,(H,13,14)
InChIKeyLKFMAXDMEFNMGE-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-2-carboxamide
CID 114428230
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
4-methyl-2-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 81020795
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
5-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylic acid
CID 112574782
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
4-methylbenzenesulfonic acid;3-(thiophen-2-ylmethyl)pyrrolidine
CID 57373093
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid (CID 117258414) is 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid is O=C(O)C1CC(Cc2cccs2)CCN1.
What is the InChIKey of 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is LKFMAXDMEFNMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11(14)10-7-8(3-4-12-10)6-9-2-1-5-15-9/h1-2,5,8,10,12H,3-4,6-7H2,(H,13,14).
What are the key properties of 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid?
4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 117258414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).