2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid

C15H26N2O3 — CID 61205754

IUPAC2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCCC1CCCC1
InChIInChI=1S/C15H26N2O3/c18-14(19)11-13-7-3-4-10-17(13)15(20)16-9-8-12-5-1-2-6-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyCSHBXSKXKGQCOU-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 61205754) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID61205754
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)NCCC1CCCC1
InChIInChI=1S/C15H26N2O3/c18-14(19)11-13-7-3-4-10-17(13)15(20)16-9-8-12-5-1-2-6-12/h12-13H,1-11H2,(H,16,20)(H,18,19)
InChIKeyCSHBXSKXKGQCOU-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid (CID 61205754) is 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)NCCC1CCCC1.
What is the InChIKey of 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is CSHBXSKXKGQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)11-13-7-3-4-10-17(13)15(20)16-9-8-12-5-1-2-6-12/h12-13H,1-11H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentylethylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61205754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).