2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid

C14H24N2O3 — CID 54899772

IUPAC2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)N1CCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(15-7-3-1-4-8-15)11-16-9-5-2-6-12(16)10-14(18)19/h12H,1-11H2,(H,18,19)
InChIKeyFJBFOVVTUDWBJE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds4

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

2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid (PubChem CID 54899772) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
PubChem CID54899772
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)N1CCCCC1
InChIInChI=1S/C14H24N2O3/c17-13(15-7-3-1-4-8-15)11-16-9-5-2-6-12(16)10-14(18)19/h12H,1-11H2,(H,18,19)
InChIKeyFJBFOVVTUDWBJE-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370538
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370713
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
CID 61010421
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849232
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid (CID 54899772) is 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid?
The InChIKey is FJBFOVVTUDWBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(15-7-3-1-4-8-15)11-16-9-5-2-6-12(16)10-14(18)19/h12H,1-11H2,(H,18,19).
What are the key properties of 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid?
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).