4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione

C16H21N3O2 — CID 117463844

IUPAC4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione
SMILESO=C1CN(c2ccccc2CC2CCNCC2)CC(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-10-19(11-16(21)18-15)14-4-2-1-3-13(14)9-12-5-7-17-8-6-12/h1-4,12,17H,5-11H2,(H,18,20,21)
InChIKeyRACKJJLGGQMQOD-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.69
Rot. Bonds3

About 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione

4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione (PubChem CID 117463844) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione
PubChem CID117463844
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione
SMILESO=C1CN(c2ccccc2CC2CCNCC2)CC(=O)N1
InChIInChI=1S/C16H21N3O2/c20-15-10-19(11-16(21)18-15)14-4-2-1-3-13(14)9-12-5-7-17-8-6-12/h1-4,12,17H,5-11H2,(H,18,20,21)
InChIKeyRACKJJLGGQMQOD-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione (CID 117463844) is 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione is O=C1CN(c2ccccc2CC2CCNCC2)CC(=O)N1.
What is the InChIKey of 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione?
The InChIKey is RACKJJLGGQMQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15-10-19(11-16(21)18-15)14-4-2-1-3-13(14)9-12-5-7-17-8-6-12/h1-4,12,17H,5-11H2,(H,18,20,21).
What are the key properties of 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione?
4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione is sourced from PubChem (CID 117463844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).