4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione

C14H17N3O3 — CID 66082928

IUPAC4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione
SMILESNCC(Cc1ccccc1)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C14H17N3O3/c15-7-11(6-10-4-2-1-3-5-10)14(20)17-8-12(18)16-13(19)9-17/h1-5,11H,6-9,15H2,(H,16,18,19)
InChIKeyOAULYKLFRMHIFT-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.71
Rot. Bonds4

About 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione

4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione (PubChem CID 66082928) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione
PubChem CID66082928
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione
SMILESNCC(Cc1ccccc1)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C14H17N3O3/c15-7-11(6-10-4-2-1-3-5-10)14(20)17-8-12(18)16-13(19)9-17/h1-5,11H,6-9,15H2,(H,16,18,19)
InChIKeyOAULYKLFRMHIFT-UHFFFAOYSA-N
XLogP-0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(aminomethyl)-3-phenylpropanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888728
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 102956893
2-(aminomethyl)-1-[4-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 63972715
4-(2-ethylbutanoyl)piperazine-2,6-dione
CID 66084705
2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81203805
4-[2-amino-3-(3-bromophenyl)propanoyl]piperazine-2,6-dione
CID 166318618
3-(3,5-dioxopiperazin-1-yl)-3-oxo-2-phenylpropanethioamide
CID 66083061
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386
4-(2-benzylsulfanylacetyl)piperazine-2,6-dione
CID 66082954
4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione
CID 106113080
4-(2-anilinoacetyl)piperazine-2,6-dione
CID 66084598
4-(3-phenyl-2-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107031205

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione (CID 66082928) is 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione is NCC(Cc1ccccc1)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione?
The InChIKey is OAULYKLFRMHIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-7-11(6-10-4-2-1-3-5-10)14(20)17-8-12(18)16-13(19)9-17/h1-5,11H,6-9,15H2,(H,16,18,19).
What are the key properties of 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione?
4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione has a molecular weight of 275.31 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione is sourced from PubChem (CID 66082928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).