1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione

C15H19N3O2 — CID 117436012

IUPAC1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione
SMILESNCC1(c2ccccc2N2CC(=O)NCC2=O)CCC1
InChIInChI=1S/C15H19N3O2/c16-10-15(6-3-7-15)11-4-1-2-5-12(11)18-9-13(19)17-8-14(18)20/h1-2,4-5H,3,6-10,16H2,(H,17,19)
InChIKeySHHKAXPZCFBCNF-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.53
Rot. Bonds3

About 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione

1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione (PubChem CID 117436012) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione
PubChem CID117436012
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione
SMILESNCC1(c2ccccc2N2CC(=O)NCC2=O)CCC1
InChIInChI=1S/C15H19N3O2/c16-10-15(6-3-7-15)11-4-1-2-5-12(11)18-9-13(19)17-8-14(18)20/h1-2,4-5H,3,6-10,16H2,(H,17,19)
InChIKeySHHKAXPZCFBCNF-UHFFFAOYSA-N
XLogP0.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione (CID 117436012) is 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione is NCC1(c2ccccc2N2CC(=O)NCC2=O)CCC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione?
The InChIKey is SHHKAXPZCFBCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-15(6-3-7-15)11-4-1-2-5-12(11)18-9-13(19)17-8-14(18)20/h1-2,4-5H,3,6-10,16H2,(H,17,19).
What are the key properties of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione?
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117436012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).