4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid

C12H15NO4S — CID 67400301

IUPAC4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid
SMILESCOC(=O)c1sccc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C12H15NO4S/c1-17-11(14)10-9(4-7-18-10)8-2-5-13(6-3-8)12(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyHEIRQMKUKHOHSZ-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.39
Rot. Bonds2

About 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid

4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid (PubChem CID 67400301) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid
PubChem CID67400301
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid
SMILESCOC(=O)c1sccc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C12H15NO4S/c1-17-11(14)10-9(4-7-18-10)8-2-5-13(6-3-8)12(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyHEIRQMKUKHOHSZ-UHFFFAOYSA-N
XLogP2.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid (CID 67400301) is 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid is COC(=O)c1sccc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid?
The InChIKey is HEIRQMKUKHOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-11(14)10-9(4-7-18-10)8-2-5-13(6-3-8)12(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid?
4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxycarbonylthiophen-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67400301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).