4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one

C23H29N3O3 — CID 3018452

IUPAC4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-28-21-8-7-18(19-16-23(27)24-17-19)15-22(21)29-14-13-25-9-11-26(12-10-25)20-5-3-2-4-6-20/h2-8,15,19H,9-14,16-17H2,1H3,(H,24,27)
InChIKeyLJIYALDEFRXWMW-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.50
Rot. Bonds7

About 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one

4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one (PubChem CID 3018452) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
PubChem CID3018452
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
SMILESCOc1ccc(C2CNC(=O)C2)cc1OCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O3/c1-28-21-8-7-18(19-16-23(27)24-17-19)15-22(21)29-14-13-25-9-11-26(12-10-25)20-5-3-2-4-6-20/h2-8,15,19H,9-14,16-17H2,1H3,(H,24,27)
InChIKeyLJIYALDEFRXWMW-UHFFFAOYSA-N
XLogP2.50
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-chloroethoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 23345044
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
4-[3-(3-hydroxy-4-piperazin-1-ylbutan-2-yl)oxy-4-methoxyphenyl]pyrrolidin-2-one
CID 23345030
1-[3-methoxy-4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]ethanone
CID 18925
4-[3-(furan-2-yl)-4-methoxyphenyl]pyrrolidin-2-one
CID 19988985
4-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]pyrrolidin-2-one
CID 23614674
(4S)-4-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]pyrrolidin-2-one
CID 11573521
4-[3-(1-cyclohexylpropoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 91121012
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylpyrrolidin-2-one;(4R)-4-(3-cyclopentyloxy-4-methylphenyl)pyrrolidin-2-one;ethane;toluene;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 157089676
N-[(4-chlorophenyl)methyl]-3-[3-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]propan-1-amine
CID 71277054

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one (CID 3018452) is 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one is COc1ccc(C2CNC(=O)C2)cc1OCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is LJIYALDEFRXWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-28-21-8-7-18(19-16-23(27)24-17-19)15-22(21)29-14-13-25-9-11-26(12-10-25)20-5-3-2-4-6-20/h2-8,15,19H,9-14,16-17H2,1H3,(H,24,27).
What are the key properties of 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 395.50 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 3018452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).