(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione

C18H25N3O3 — CID 7456330

IUPAC(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C18H25N3O3/c1-24-12-11-21-17(22)13-16(18(21)23)20-9-7-19(8-10-20)14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1
InChIKeyKZUMRKHRQFISFI-MRXNPFEDSA-N
MW331.42 g/mol
LogP0.58
Rot. Bonds6

About (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione

(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione (PubChem CID 7456330) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
PubChem CID7456330
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C18H25N3O3/c1-24-12-11-21-17(22)13-16(18(21)23)20-9-7-19(8-10-20)14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1
InChIKeyKZUMRKHRQFISFI-MRXNPFEDSA-N
XLogP0.58
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
CID 30635283
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 4878079
(3R)-3-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 41059270
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
1-[(4-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 5298834
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
(3S)-3-(4-benzylpiperazin-1-yl)-1-(2-bromo-4-methylphenyl)pyrrolidine-2,5-dione
CID 51621006

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione (CID 7456330) is (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione is COCCN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is KZUMRKHRQFISFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-12-11-21-17(22)13-16(18(21)23)20-9-7-19(8-10-20)14-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 331.42 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7456330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).