2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid

C16H25NO2S — CID 83198545

IUPAC2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
SMILESCCC(c1cccs1)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H25NO2S/c1-4-13(14-8-6-10-20-14)17-9-5-7-12(11-17)16(2,3)15(18)19/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3,(H,18,19)
InChIKeyKKCIPBQTPNZTQZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.02
Rot. Bonds5

About 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid

2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid (PubChem CID 83198545) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
PubChem CID83198545
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid
SMILESCCC(c1cccs1)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C16H25NO2S/c1-4-13(14-8-6-10-20-14)17-9-5-7-12(11-17)16(2,3)15(18)19/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3,(H,18,19)
InChIKeyKKCIPBQTPNZTQZ-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-thiophen-2-ylpropyl)pyrrolidine-2-carboxylic acid
CID 4038004
2-methyl-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]propanoic acid
CID 83198787
2-[1-(1-thiophen-2-ylpropyl)piperidin-4-yl]acetic acid
CID 79606686
3-methyl-1-(1-thiophen-2-ylpropyl)piperidine-3-carboxylic acid
CID 65068908
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639
3-cyclohexyl-1-(1-thiophen-2-ylpropyl)-1,4-diazepane
CID 64942493
2-(1-but-3-en-2-ylpiperidin-3-yl)-2-methylpropanoic acid
CID 83198227
1-[1-(1-thiophen-2-ylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316642
N,3-dimethyl-1-(1-thiophen-2-ylpropyl)piperidin-4-amine
CID 54976100
[1-(1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311578
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
4-pyrrolidin-1-yl-4-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid (CID 83198545) is 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid is CCC(c1cccs1)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid?
The InChIKey is KKCIPBQTPNZTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-13(14-8-6-10-20-14)17-9-5-7-12(11-17)16(2,3)15(18)19/h6,8,10,12-13H,4-5,7,9,11H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid?
2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid has a molecular weight of 295.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(1-thiophen-2-ylpropyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).