3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one

C19H22N4O — CID 67470480

IUPAC3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one
SMILESO=C1N(C2CCNCC2)CCC1(c1ccccc1)c1ncccn1
InChIInChI=1S/C19H22N4O/c24-18-19(15-5-2-1-3-6-15,17-21-10-4-11-22-17)9-14-23(18)16-7-12-20-13-8-16/h1-6,10-11,16,20H,7-9,12-14H2
InChIKeyDIOPKNLDSBRHRG-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.75
Rot. Bonds3

About 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one

3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one (PubChem CID 67470480) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one
PubChem CID67470480
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one
SMILESO=C1N(C2CCNCC2)CCC1(c1ccccc1)c1ncccn1
InChIInChI=1S/C19H22N4O/c24-18-19(15-5-2-1-3-6-15,17-21-10-4-11-22-17)9-14-23(18)16-7-12-20-13-8-16/h1-6,10-11,16,20H,7-9,12-14H2
InChIKeyDIOPKNLDSBRHRG-UHFFFAOYSA-N
XLogP1.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one?
The IUPAC name of 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one (CID 67470480) is 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one is O=C1N(C2CCNCC2)CCC1(c1ccccc1)c1ncccn1.
What is the InChIKey of 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one?
The InChIKey is DIOPKNLDSBRHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18-19(15-5-2-1-3-6-15,17-21-10-4-11-22-17)9-14-23(18)16-7-12-20-13-8-16/h1-6,10-11,16,20H,7-9,12-14H2.
What are the key properties of 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one?
3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-piperidin-4-yl-3-pyrimidin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 67470480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).