1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione

C14H19N3O2 — CID 117407702

IUPAC1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
SMILESCC(C)(N)Cc1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,15)7-10-4-3-5-11(6-10)17-9-12(18)16-8-13(17)19/h3-6H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyKVYJSVKFXHSKGP-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.43
Rot. Bonds3

About 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione

1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione (PubChem CID 117407702) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
PubChem CID117407702
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione
SMILESCC(C)(N)Cc1cccc(N2CC(=O)NCC2=O)c1
InChIInChI=1S/C14H19N3O2/c1-14(2,15)7-10-4-3-5-11(6-10)17-9-12(18)16-8-13(17)19/h3-6H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyKVYJSVKFXHSKGP-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
3-(2,5-dioxopiperazin-1-yl)benzoic acid
CID 82513195
1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959098
1-[3-(2-amino-1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117375756
1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
CID 117463832
1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370686
1-[3-(1-hydroxyethyl)phenyl]piperazine-2,5-dione
CID 117340213
1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
1-[3-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436048
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
1-naphthalen-1-ylpiperazine-2,5-dione
CID 64955278

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione (CID 117407702) is 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione is CC(C)(N)Cc1cccc(N2CC(=O)NCC2=O)c1.
What is the InChIKey of 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione?
The InChIKey is KVYJSVKFXHSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,15)7-10-4-3-5-11(6-10)17-9-12(18)16-8-13(17)19/h3-6H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione?
1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-2-methylpropyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117407702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).