1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione

C18H25N3O3 — CID 70675869

IUPAC1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CN2CCN(CCO)CC2)C1=O
InChIInChI=1S/C18H25N3O3/c1-18(15-5-3-2-4-6-15)13-16(23)21(17(18)24)14-20-9-7-19(8-10-20)11-12-22/h2-6,22H,7-14H2,1H3
InChIKeyCLVWWGOXFBYGQU-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.27
Rot. Bonds5

About 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione

1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 70675869) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
PubChem CID70675869
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
SMILESCC1(c2ccccc2)CC(=O)N(CN2CCN(CCO)CC2)C1=O
InChIInChI=1S/C18H25N3O3/c1-18(15-5-3-2-4-6-15)13-16(23)21(17(18)24)14-20-9-7-19(8-10-20)11-12-22/h2-6,22H,7-14H2,1H3
InChIKeyCLVWWGOXFBYGQU-UHFFFAOYSA-N
XLogP0.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
CID 70675866
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417
3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 52941517
1-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122138338
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpyrrolidine-2,5-dione
CID 60977307
3-[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 95860275
methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 124614160
1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
CID 71531777
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-3,3-diphenylpyrrolidine-2,5-dione
CID 71531907
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 122190142

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione (CID 70675869) is 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione is CC1(c2ccccc2)CC(=O)N(CN2CCN(CCO)CC2)C1=O.
What is the InChIKey of 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is CLVWWGOXFBYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(15-5-3-2-4-6-15)13-16(23)21(17(18)24)14-20-9-7-19(8-10-20)11-12-22/h2-6,22H,7-14H2,1H3.
What are the key properties of 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione?
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 331.42 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 70675869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).