1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one

C15H21N3O — CID 3021274

IUPAC1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c19-15-7-4-8-18(15)13-16-9-11-17(12-10-16)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyZRFLTMSSHZEOGF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.39
Rot. Bonds3

About 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one

1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 3021274) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one
PubChem CID3021274
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c19-15-7-4-8-18(15)13-16-9-11-17(12-10-16)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyZRFLTMSSHZEOGF-UHFFFAOYSA-N
XLogP1.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one (CID 3021274) is 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one is O=C1CCCN1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is ZRFLTMSSHZEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15-7-4-8-18(15)13-16-9-11-17(12-10-16)14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2.
What are the key properties of 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one?
1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 3021274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).