3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid

C14H21NO2S — CID 65068908

IUPAC3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
SMILESCCC(c1cccs1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H21NO2S/c1-3-11(12-6-4-9-18-12)15-8-5-7-14(2,10-15)13(16)17/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyVVBWSGPYYQVGRL-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.39
Rot. Bonds4

About 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid

3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid (PubChem CID 65068908) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
PubChem CID65068908
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
SMILESCCC(c1cccs1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H21NO2S/c1-3-11(12-6-4-9-18-12)15-8-5-7-14(2,10-15)13(16)17/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyVVBWSGPYYQVGRL-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
CID 65069150
3-methyl-1-(1-thiophen-2-ylethyl)azetidine-3-carboxylic acid
CID 131000852
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064495
2-[3-methyl-1-(1-thiophen-2-ylpropyl)azetidin-3-yl]oxyacetic acid
CID 102660135
2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
CID 83198545
3,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperazine
CID 64924954
3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
CID 4038004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid (CID 65068908) is 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid is CCC(c1cccs1)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
The InChIKey is VVBWSGPYYQVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-11(12-6-4-9-18-12)15-8-5-7-14(2,10-15)13(16)17/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid?
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65068908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).