3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid

C15H27NO2 — CID 114191537

IUPAC3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(CCC2CCCC2)C1
InChIInChI=1S/C15H27NO2/c17-15(18)8-7-14-6-3-10-16(12-14)11-9-13-4-1-2-5-13/h13-14H,1-12H2,(H,17,18)
InChIKeyFGXYNINAFJDYRM-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds6

About 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid

3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid (PubChem CID 114191537) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
PubChem CID114191537
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(CCC2CCCC2)C1
InChIInChI=1S/C15H27NO2/c17-15(18)8-7-14-6-3-10-16(12-14)11-9-13-4-1-2-5-13/h13-14H,1-12H2,(H,17,18)
InChIKeyFGXYNINAFJDYRM-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
CID 82892323
3-(3-cyclohexylsulfanylpiperidin-1-yl)propanoic acid
CID 84755210
3-[1-(2-hydroxy-2-methylbutyl)piperidin-3-yl]propanoic acid
CID 114494868
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179
3-(1-cyclooctylpiperidin-3-yl)propanoic acid
CID 65071973
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82892628
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773
3-[1-(2-cyclopentyl-2-methylpropanoyl)piperidin-3-yl]propanoic acid
CID 120536477

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid (CID 114191537) is 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(CCC2CCCC2)C1.
What is the InChIKey of 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid?
The InChIKey is FGXYNINAFJDYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-15(18)8-7-14-6-3-10-16(12-14)11-9-13-4-1-2-5-13/h13-14H,1-12H2,(H,17,18).
What are the key properties of 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid?
3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopentylethyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 114191537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).