acetic acid;1-piperidin-4-ylpyrrolidin-2-one

C11H20N2O3 — CID 118295200

IUPACacetic acid;1-piperidin-4-ylpyrrolidin-2-one
SMILESCC(=O)O.O=C1CCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O.C2H4O2/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;1-2(3)4/h8,10H,1-7H2;1H3,(H,3,4)
InChIKeyFKRDEEJFPPASTQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds1

About acetic acid;1-piperidin-4-ylpyrrolidin-2-one

acetic acid;1-piperidin-4-ylpyrrolidin-2-one (PubChem CID 118295200) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is acetic acid;1-piperidin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Nameacetic acid;1-piperidin-4-ylpyrrolidin-2-one
PubChem CID118295200
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameacetic acid;1-piperidin-4-ylpyrrolidin-2-one
SMILESCC(=O)O.O=C1CCCN1C1CCNCC1
InChIInChI=1S/C9H16N2O.C2H4O2/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;1-2(3)4/h8,10H,1-7H2;1H3,(H,3,4)
InChIKeyFKRDEEJFPPASTQ-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-piperidin-4-ylpyrrolidin-2-one?
The IUPAC name of acetic acid;1-piperidin-4-ylpyrrolidin-2-one (CID 118295200) is acetic acid;1-piperidin-4-ylpyrrolidin-2-one.
What is the SMILES notation for acetic acid;1-piperidin-4-ylpyrrolidin-2-one?
The canonical SMILES for acetic acid;1-piperidin-4-ylpyrrolidin-2-one is CC(=O)O.O=C1CCCN1C1CCNCC1.
What is the InChIKey of acetic acid;1-piperidin-4-ylpyrrolidin-2-one?
The InChIKey is FKRDEEJFPPASTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H4O2/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;1-2(3)4/h8,10H,1-7H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-piperidin-4-ylpyrrolidin-2-one?
acetic acid;1-piperidin-4-ylpyrrolidin-2-one has a molecular weight of 228.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-piperidin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 118295200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).