1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one

C26H27N3O2 — CID 122654104

IUPAC1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
SMILESO=C1CC(N2CCN(c3ccccc3)CC2)CN1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c30-26-19-23(28-17-15-27(16-18-28)21-7-3-1-4-8-21)20-29(26)22-11-13-25(14-12-22)31-24-9-5-2-6-10-24/h1-14,23H,15-20H2
InChIKeyJNXDMSREKNNPJW-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.41
Rot. Bonds5

About 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one

1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 122654104) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID122654104
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one
SMILESO=C1CC(N2CCN(c3ccccc3)CC2)CN1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c30-26-19-23(28-17-15-27(16-18-28)21-7-3-1-4-8-21)20-29(26)22-11-13-25(14-12-22)31-24-9-5-2-6-10-24/h1-14,23H,15-20H2
InChIKeyJNXDMSREKNNPJW-UHFFFAOYSA-N
XLogP4.41
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one (CID 122654104) is 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one is O=C1CC(N2CCN(c3ccccc3)CC2)CN1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is JNXDMSREKNNPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26-19-23(28-17-15-27(16-18-28)21-7-3-1-4-8-21)20-29(26)22-11-13-25(14-12-22)31-24-9-5-2-6-10-24/h1-14,23H,15-20H2.
What are the key properties of 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one?
1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 413.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 122654104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).