4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one

C21H24N2O — CID 90656158

IUPAC4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1c1cccc(C2CCNCC2)c1
InChIInChI=1S/C21H24N2O/c24-21-14-19(16-5-2-1-3-6-16)15-23(21)20-8-4-7-18(13-20)17-9-11-22-12-10-17/h1-8,13,17,19,22H,9-12,14-15H2
InChIKeyKEKJDGMDLKNTRA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.67
Rot. Bonds3

About 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one

4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 90656158) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one
PubChem CID90656158
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1c1cccc(C2CCNCC2)c1
InChIInChI=1S/C21H24N2O/c24-21-14-19(16-5-2-1-3-6-16)15-23(21)20-8-4-7-18(13-20)17-9-11-22-12-10-17/h1-8,13,17,19,22H,9-12,14-15H2
InChIKeyKEKJDGMDLKNTRA-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one (CID 90656158) is 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one is O=C1CC(c2ccccc2)CN1c1cccc(C2CCNCC2)c1.
What is the InChIKey of 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is KEKJDGMDLKNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-14-19(16-5-2-1-3-6-16)15-23(21)20-8-4-7-18(13-20)17-9-11-22-12-10-17/h1-8,13,17,19,22H,9-12,14-15H2.
What are the key properties of 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one?
4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-piperidin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 90656158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).