4-(2-amino-2-phenylpropanoyl)piperazin-2-one

C13H17N3O2 — CID 62487867

IUPAC4-(2-amino-2-phenylpropanoyl)piperazin-2-one
SMILESCC(N)(C(=O)N1CCNC(=O)C1)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-13(14,10-5-3-2-4-6-10)12(18)16-8-7-15-11(17)9-16/h2-6H,7-9,14H2,1H3,(H,15,17)
InChIKeyLGEZDSDAAPVPRA-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.18
Rot. Bonds2

About 4-(2-amino-2-phenylpropanoyl)piperazin-2-one

4-(2-amino-2-phenylpropanoyl)piperazin-2-one (PubChem CID 62487867) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-amino-2-phenylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-phenylpropanoyl)piperazin-2-one
PubChem CID62487867
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2-amino-2-phenylpropanoyl)piperazin-2-one
SMILESCC(N)(C(=O)N1CCNC(=O)C1)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-13(14,10-5-3-2-4-6-10)12(18)16-8-7-15-11(17)9-16/h2-6H,7-9,14H2,1H3,(H,15,17)
InChIKeyLGEZDSDAAPVPRA-UHFFFAOYSA-N
XLogP-0.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylpropanoyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-2-phenylpropanoyl)piperazin-2-one (CID 62487867) is 4-(2-amino-2-phenylpropanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-2-phenylpropanoyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-2-phenylpropanoyl)piperazin-2-one is CC(N)(C(=O)N1CCNC(=O)C1)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylpropanoyl)piperazin-2-one?
The InChIKey is LGEZDSDAAPVPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(14,10-5-3-2-4-6-10)12(18)16-8-7-15-11(17)9-16/h2-6H,7-9,14H2,1H3,(H,15,17).
What are the key properties of 4-(2-amino-2-phenylpropanoyl)piperazin-2-one?
4-(2-amino-2-phenylpropanoyl)piperazin-2-one has a molecular weight of 247.30 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylpropanoyl)piperazin-2-one is sourced from PubChem (CID 62487867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).