(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

C26H28N4O4 — CID 51620013

IUPAC(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H28N4O4/c31-23-15-21(25(33)29(23)17-19-7-3-1-4-8-19)27-11-13-28(14-12-27)22-16-24(32)30(26(22)34)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2/t21-,22-/m0/s1
InChIKeyPBYFCNZSOJYRQZ-VXKWHMMOSA-N
MW460.53 g/mol
LogP1.26
Rot. Bonds6

About (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 51620013) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID51620013
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C26H28N4O4/c31-23-15-21(25(33)29(23)17-19-7-3-1-4-8-19)27-11-13-28(14-12-27)22-16-24(32)30(26(22)34)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2/t21-,22-/m0/s1
InChIKeyPBYFCNZSOJYRQZ-VXKWHMMOSA-N
XLogP1.26
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7357524
1-[(4-chlorophenyl)methyl]-3-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 17391217
1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride
CID 163326765
(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
CID 30635283
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7456330
1-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-2,5-dione
CID 155114949
(3S)-1-benzyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]pyrrolidine-2,5-dione
CID 99107501

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 51620013) is (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H](N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is PBYFCNZSOJYRQZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-23-15-21(25(33)29(23)17-19-7-3-1-4-8-19)27-11-13-28(14-12-27)22-16-24(32)30(26(22)34)18-20-9-5-2-6-10-20/h1-10,21-22H,11-18H2/t21-,22-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 460.53 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 51620013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).