4-piperidin-4-ylpyrrolidin-2-one

C9H16N2O — CID 75481059

IUPAC4-piperidin-4-ylpyrrolidin-2-one
SMILESO=C1CC(C2CCNCC2)CN1
InChIInChI=1S/C9H16N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyPLHLWCBBZWSJDN-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.12
Rot. Bonds1

About 4-piperidin-4-ylpyrrolidin-2-one

4-piperidin-4-ylpyrrolidin-2-one (PubChem CID 75481059) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-piperidin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-piperidin-4-ylpyrrolidin-2-one
PubChem CID75481059
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-piperidin-4-ylpyrrolidin-2-one
SMILESO=C1CC(C2CCNCC2)CN1
InChIInChI=1S/C9H16N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyPLHLWCBBZWSJDN-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-piperidin-4-ylpyrrolidin-2-one (CID 75481059) is 4-piperidin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-piperidin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-piperidin-4-ylpyrrolidin-2-one is O=C1CC(C2CCNCC2)CN1.
What is the InChIKey of 4-piperidin-4-ylpyrrolidin-2-one?
The InChIKey is PLHLWCBBZWSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of 4-piperidin-4-ylpyrrolidin-2-one?
4-piperidin-4-ylpyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 75481059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).