1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione

C26H25N3O2 — CID 166103628

IUPAC1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CC(c3ccccc3)C2)CCN1Cc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C26H25N3O2/c30-25-26(31)29(23-15-22(16-23)20-7-3-1-4-8-20)14-13-28(25)18-19-11-12-24(27-17-19)21-9-5-2-6-10-21/h1-12,17,22-23H,13-16,18H2
InChIKeyKZCPQNLPLIQBMM-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.87
Rot. Bonds5

About 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione

1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione (PubChem CID 166103628) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione
PubChem CID166103628
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CC(c3ccccc3)C2)CCN1Cc1ccc(-c2ccccc2)nc1
InChIInChI=1S/C26H25N3O2/c30-25-26(31)29(23-15-22(16-23)20-7-3-1-4-8-20)14-13-28(25)18-19-11-12-24(27-17-19)21-9-5-2-6-10-21/h1-12,17,22-23H,13-16,18H2
InChIKeyKZCPQNLPLIQBMM-UHFFFAOYSA-N
XLogP3.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione (CID 166103628) is 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CC(c3ccccc3)C2)CCN1Cc1ccc(-c2ccccc2)nc1.
What is the InChIKey of 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione?
The InChIKey is KZCPQNLPLIQBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-25-26(31)29(23-15-22(16-23)20-7-3-1-4-8-20)14-13-28(25)18-19-11-12-24(27-17-19)21-9-5-2-6-10-21/h1-12,17,22-23H,13-16,18H2.
What are the key properties of 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione?
1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione has a molecular weight of 411.51 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).