4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one

C15H21N3O2 — CID 168702108

IUPAC4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
SMILESCN1CCN(c2ccc(N3CC(O)CC3=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-16-6-8-17(9-7-16)12-2-4-13(5-3-12)18-11-14(19)10-15(18)20/h2-5,14,19H,6-11H2,1H3
InChIKeyMWINEYWRZAJIQU-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.54
Rot. Bonds2

About 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one

4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 168702108) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
PubChem CID168702108
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
SMILESCN1CCN(c2ccc(N3CC(O)CC3=O)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-16-6-8-17(9-7-16)12-2-4-13(5-3-12)18-11-14(19)10-15(18)20/h2-5,14,19H,6-11H2,1H3
InChIKeyMWINEYWRZAJIQU-UHFFFAOYSA-N
XLogP0.54
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696336
4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoic acid
CID 168703419
N-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190069
(3R)-1-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25344191
4-hydroxy-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168702249
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-[4-(4-acetylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50879047
(4S)-1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-hydroxypyrrolidin-2-one
CID 71252641
(1R,2S,6R,7S)-4-[4-(4-methylpiperazin-1-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 69106540
1-(3-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55582549
1-(3-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113186011
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one (CID 168702108) is 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one is CN1CCN(c2ccc(N3CC(O)CC3=O)cc2)CC1.
What is the InChIKey of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is MWINEYWRZAJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-16-6-8-17(9-7-16)12-2-4-13(5-3-12)18-11-14(19)10-15(18)20/h2-5,14,19H,6-11H2,1H3.
What are the key properties of 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one?
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168702108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).