3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione

C18H25N3O2 — CID 2987252

IUPAC3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C18H25N3O2/c1-2-8-21-17(22)13-16(18(21)23)20-11-9-19(10-12-20)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeySRBUXDPQRHNFCA-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.34
Rot. Bonds5

About 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione

3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione (PubChem CID 2987252) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
PubChem CID2987252
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C18H25N3O2/c1-2-8-21-17(22)13-16(18(21)23)20-11-9-19(10-12-20)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeySRBUXDPQRHNFCA-UHFFFAOYSA-N
XLogP1.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
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
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235132
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione (CID 2987252) is 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(N2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione?
The InChIKey is SRBUXDPQRHNFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-8-21-17(22)13-16(18(21)23)20-11-9-19(10-12-20)14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione?
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione has a molecular weight of 315.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 2987252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).