1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione

C14H17N3O2 — CID 117402030

IUPAC1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(C3(N)CC3)cc2)CC1=O
InChIInChI=1S/C14H17N3O2/c1-16-8-13(19)17(9-12(16)18)11-4-2-10(3-5-11)14(15)6-7-14/h2-5H,6-9,15H2,1H3
InChIKeySFDPUOKKZXFFBF-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.44
Rot. Bonds2

About 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione

1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117402030) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117402030
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccc(C3(N)CC3)cc2)CC1=O
InChIInChI=1S/C14H17N3O2/c1-16-8-13(19)17(9-12(16)18)11-4-2-10(3-5-11)14(15)6-7-14/h2-5H,6-9,15H2,1H3
InChIKeySFDPUOKKZXFFBF-UHFFFAOYSA-N
XLogP0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione (CID 117402030) is 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccc(C3(N)CC3)cc2)CC1=O.
What is the InChIKey of 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is SFDPUOKKZXFFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-16-8-13(19)17(9-12(16)18)11-4-2-10(3-5-11)14(15)6-7-14/h2-5H,6-9,15H2,1H3.
What are the key properties of 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione?
1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 259.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopropyl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117402030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).