1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one

C23H27N3O2 — CID 24982385

IUPAC1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-22-15-21(18-26(22)17-20-9-5-2-6-10-20)23(28)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2
InChIKeyARGYEDLPPOFDEU-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.38
Rot. Bonds5

About 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one

1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 24982385) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID24982385
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-22-15-21(18-26(22)17-20-9-5-2-6-10-20)23(28)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2
InChIKeyARGYEDLPPOFDEU-UHFFFAOYSA-N
XLogP2.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 24982385) is 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(Cc3ccccc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ARGYEDLPPOFDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-15-21(18-26(22)17-20-9-5-2-6-10-20)23(28)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2.
What are the key properties of 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-benzylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 24982385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).