1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione

C15H19N3O2 — CID 117436054

IUPAC1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
SMILESCC(N)C1(c2ccc(N3CC(=O)NCC3=O)cc2)CC1
InChIInChI=1S/C15H19N3O2/c1-10(16)15(6-7-15)11-2-4-12(5-3-11)18-9-13(19)17-8-14(18)20/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyJCOKLTJUNDDZNV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.53
Rot. Bonds3

About 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione

1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione (PubChem CID 117436054) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
PubChem CID117436054
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
SMILESCC(N)C1(c2ccc(N3CC(=O)NCC3=O)cc2)CC1
InChIInChI=1S/C15H19N3O2/c1-10(16)15(6-7-15)11-2-4-12(5-3-11)18-9-13(19)17-8-14(18)20/h2-5,10H,6-9,16H2,1H3,(H,17,19)
InChIKeyJCOKLTJUNDDZNV-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-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione (CID 117436054) is 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione is CC(N)C1(c2ccc(N3CC(=O)NCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione?
The InChIKey is JCOKLTJUNDDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(16)15(6-7-15)11-2-4-12(5-3-11)18-9-13(19)17-8-14(18)20/h2-5,10H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione?
1-[4-[1-(1-aminoethyl)cyclopropyl]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-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117436054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).