(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium

C21H24N3OY- — CID 59782565

IUPAC(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium
SMILESO=C1[C@H](Cc2ccccc2N2CCNCC2)CCN1c1cc[c-]cc1.[Y]
InChIInChI=1S/C21H24N3O.Y/c25-21-18(10-13-24(21)19-7-2-1-3-8-19)16-17-6-4-5-9-20(17)23-14-11-22-12-15-23;/h2-9,18,22H,10-16H2;/q-1;/t18-;/m0./s1
InChIKeyBPCNOBWQDLTZHF-FERBBOLQSA-N
MW423.35 g/mol
LogP2.49
Rot. Bonds4

About (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium

(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium (PubChem CID 59782565) has the molecular formula C21H24N3OY- and a molecular weight of 423.35 g/mol. Its IUPAC name is (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium.

Molecular Properties

Compound Name(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium
PubChem CID59782565
Molecular FormulaC21H24N3OY-
Molecular Weight423.35 g/mol
Exact Mass423.10
IUPAC Name(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium
SMILESO=C1[C@H](Cc2ccccc2N2CCNCC2)CCN1c1cc[c-]cc1.[Y]
InChIInChI=1S/C21H24N3O.Y/c25-21-18(10-13-24(21)19-7-2-1-3-8-19)16-17-6-4-5-9-20(17)23-14-11-22-12-15-23;/h2-9,18,22H,10-16H2;/q-1;/t18-;/m0./s1
InChIKeyBPCNOBWQDLTZHF-FERBBOLQSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium?
The IUPAC name of (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium (CID 59782565) is (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium.
What is the SMILES notation for (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium?
The canonical SMILES for (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium is O=C1[C@H](Cc2ccccc2N2CCNCC2)CCN1c1cc[c-]cc1.[Y].
What is the InChIKey of (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium?
The InChIKey is BPCNOBWQDLTZHF-FERBBOLQSA-N. The full InChI is InChI=1S/C21H24N3O.Y/c25-21-18(10-13-24(21)19-7-2-1-3-8-19)16-17-6-4-5-9-20(17)23-14-11-22-12-15-23;/h2-9,18,22H,10-16H2;/q-1;/t18-;/m0./s1.
What are the key properties of (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium?
(3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium has a molecular weight of 423.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenyl-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;yttrium is sourced from PubChem (CID 59782565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).