2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid

C12H20N2O3 — CID 115043734

IUPAC2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(C2CCNCC2)C1=O
InChIInChI=1S/C12H20N2O3/c15-11(16)8-9-2-1-7-14(12(9)17)10-3-5-13-6-4-10/h9-10,13H,1-8H2,(H,15,16)
InChIKeyXHMLKEPNLKMIMV-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds3

About 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid

2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid (PubChem CID 115043734) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid
PubChem CID115043734
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(C2CCNCC2)C1=O
InChIInChI=1S/C12H20N2O3/c15-11(16)8-9-2-1-7-14(12(9)17)10-3-5-13-6-4-10/h9-10,13H,1-8H2,(H,15,16)
InChIKeyXHMLKEPNLKMIMV-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid (CID 115043734) is 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid is O=C(O)CC1CCCN(C2CCNCC2)C1=O.
What is the InChIKey of 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid?
The InChIKey is XHMLKEPNLKMIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)8-9-2-1-7-14(12(9)17)10-3-5-13-6-4-10/h9-10,13H,1-8H2,(H,15,16).
What are the key properties of 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid?
2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-piperidin-4-ylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 115043734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).