3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione

C14H18N2O2 — CID 66075288

IUPAC3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-11-14(18)16(13(17)10-15-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3
InChIKeyQNBDIJMSUMMYAE-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.97
Rot. Bonds4

About 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione

3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione (PubChem CID 66075288) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
PubChem CID66075288
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-11-14(18)16(13(17)10-15-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3
InChIKeyQNBDIJMSUMMYAE-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione (CID 66075288) is 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione is CC1NCC(=O)N(CCCc2ccccc2)C1=O.
What is the InChIKey of 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione?
The InChIKey is QNBDIJMSUMMYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-14(18)16(13(17)10-15-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,15H,5,8-10H2,1H3.
What are the key properties of 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione?
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione has a molecular weight of 246.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione is sourced from PubChem (CID 66075288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).