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

C19H27N3O2 — CID 30635283

IUPAC(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-2-3-9-22-18(23)14-17(19(22)24)21-12-10-20(11-13-21)15-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3/t17-/m1/s1
InChIKeyDVRPOFDOWMVYGL-QGZVFWFLSA-N
MW329.44 g/mol
LogP1.73
Rot. Bonds6

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

(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione (PubChem CID 30635283) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
PubChem CID30635283
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione
SMILESCCCCN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-2-3-9-22-18(23)14-17(19(22)24)21-12-10-20(11-13-21)15-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3/t17-/m1/s1
InChIKeyDVRPOFDOWMVYGL-QGZVFWFLSA-N
XLogP1.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.73
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

3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(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
4-benzyl-1-butylpiperazine-2,6-dione
CID 58822020
1-benzyl-4-butylpiperazine;ethane
CID 90954358
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-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
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-butylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione (CID 30635283) is (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione is CCCCN1C(=O)C[C@@H](N2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione?
The InChIKey is DVRPOFDOWMVYGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-3-9-22-18(23)14-17(19(22)24)21-12-10-20(11-13-21)15-16-7-5-4-6-8-16/h4-8,17H,2-3,9-15H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione?
(3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione has a molecular weight of 329.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzylpiperazin-1-yl)-1-butylpyrrolidine-2,5-dione is sourced from PubChem (CID 30635283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).