1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one

C24H27N3O — CID 5308254

IUPAC1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one
SMILESO=C(C(Cc1ccccc1)n1cccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c28-24(23(26-13-7-8-14-26)19-21-9-3-1-4-10-21)27-17-15-25(16-18-27)20-22-11-5-2-6-12-22/h1-14,23H,15-20H2
InChIKeyJLZRQNWWPBMCIA-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.62
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one

1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one (PubChem CID 5308254) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one
PubChem CID5308254
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one
SMILESO=C(C(Cc1ccccc1)n1cccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c28-24(23(26-13-7-8-14-26)19-21-9-3-1-4-10-21)27-17-15-25(16-18-27)20-22-11-5-2-6-12-22/h1-14,23H,15-20H2
InChIKeyJLZRQNWWPBMCIA-UHFFFAOYSA-N
XLogP3.62
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one (CID 5308254) is 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one is O=C(C(Cc1ccccc1)n1cccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
The InChIKey is JLZRQNWWPBMCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-24(23(26-13-7-8-14-26)19-21-9-3-1-4-10-21)27-17-15-25(16-18-27)20-22-11-5-2-6-12-22/h1-14,23H,15-20H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one?
1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one has a molecular weight of 373.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-phenyl-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 5308254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).