3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

C23H28N4O2 — CID 119951477

IUPAC3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESNC(CC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c24-20(18-7-3-1-4-8-18)17-22(28)26-15-13-25(14-16-26)21-11-12-27(23(21)29)19-9-5-2-6-10-19/h1-10,20-21H,11-17,24H2
InChIKeyNZKPLLKQGSCJEO-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.03
Rot. Bonds5

About 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 119951477) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID119951477
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESNC(CC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1)c1ccccc1
InChIInChI=1S/C23H28N4O2/c24-20(18-7-3-1-4-8-18)17-22(28)26-15-13-25(14-16-26)21-11-12-27(23(21)29)19-9-5-2-6-10-19/h1-10,20-21H,11-17,24H2
InChIKeyNZKPLLKQGSCJEO-UHFFFAOYSA-N
XLogP2.03
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 119951477) is 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is NC(CC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1)c1ccccc1.
What is the InChIKey of 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is NZKPLLKQGSCJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-20(18-7-3-1-4-8-18)17-22(28)26-15-13-25(14-16-26)21-11-12-27(23(21)29)19-9-5-2-6-10-19/h1-10,20-21H,11-17,24H2.
What are the key properties of 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 119951477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).