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

C15H19N3O2 — CID 117436005

IUPAC1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione
SMILESNC1(c2ccc(N3CC(=O)NCC3=O)cc2)CCCC1
InChIInChI=1S/C15H19N3O2/c16-15(7-1-2-8-15)11-3-5-12(6-4-11)18-10-13(19)17-9-14(18)20/h3-6H,1-2,7-10,16H2,(H,17,19)
InChIKeySTGIREHABZVZDC-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.88
Rot. Bonds2

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

1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione (PubChem CID 117436005) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione
PubChem CID117436005
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione
SMILESNC1(c2ccc(N3CC(=O)NCC3=O)cc2)CCCC1
InChIInChI=1S/C15H19N3O2/c16-15(7-1-2-8-15)11-3-5-12(6-4-11)18-10-13(19)17-9-14(18)20/h3-6H,1-2,7-10,16H2,(H,17,19)
InChIKeySTGIREHABZVZDC-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminocyclopentyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117463796
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436054
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
1-(4-pyrrolidin-1-ylphenyl)piperazine-2,5-dione
CID 64955695
1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117402030
1-[4-(2-aminopropan-2-yl)phenyl]piperazine-2,5-dione
CID 117370686
1-[4-(dimethylamino)phenyl]piperazine-2,5-dione
CID 64955126
1-(3-amino-4-fluorophenyl)piperazine-2,5-dione
CID 82512820
1-(3-amino-4-methylphenyl)piperazine-2,5-dione
CID 82512730
1-(4-amino-3-chlorophenyl)piperazine-2,5-dione
CID 82513383
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(4-pyrrolidin-3-ylphenyl)piperazine-2,5-dione
CID 117402108

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione (CID 117436005) is 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione is NC1(c2ccc(N3CC(=O)NCC3=O)cc2)CCCC1.
What is the InChIKey of 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione?
The InChIKey is STGIREHABZVZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-15(7-1-2-8-15)11-3-5-12(6-4-11)18-10-13(19)17-9-14(18)20/h3-6H,1-2,7-10,16H2,(H,17,19).
What are the key properties of 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione?
1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 117436005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).