1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

C18H27N3O3 — CID 10937526

IUPAC1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(CC(O)CN2CCCC2=O)CC1
InChIInChI=1S/C18H27N3O3/c1-24-17-6-3-2-5-16(17)20-11-9-19(10-12-20)13-15(22)14-21-8-4-7-18(21)23/h2-3,5-6,15,22H,4,7-14H2,1H3
InChIKeyWYIOSZXGDSLSTH-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.80
Rot. Bonds6

About 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 10937526) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID10937526
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCN(CC(O)CN2CCCC2=O)CC1
InChIInChI=1S/C18H27N3O3/c1-24-17-6-3-2-5-16(17)20-11-9-19(10-12-20)13-15(22)14-21-8-4-7-18(21)23/h2-3,5-6,15,22H,4,7-14H2,1H3
InChIKeyWYIOSZXGDSLSTH-UHFFFAOYSA-N
XLogP0.80
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
1-(2-Ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione
CID 2856113
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832
Rwj-68141
CID 44390756
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazole-2(3H)-thione
CID 4572191
1-(2-Methoxyphenyl)-4-methylpiperazine
CID 9859120
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 10937526) is 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is COc1ccccc1N1CCN(CC(O)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is WYIOSZXGDSLSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-17-6-3-2-5-16(17)20-11-9-19(10-12-20)13-15(22)14-21-8-4-7-18(21)23/h2-3,5-6,15,22H,4,7-14H2,1H3.
What are the key properties of 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 333.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 10937526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).