4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione

C15H19N3O2 — CID 117436103

IUPAC4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(CC3(N)CC3)cc2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-13(19)9-18(10-14(17)20)12-4-2-11(3-5-12)8-15(16)6-7-15/h2-5H,6-10,16H2,1H3
InChIKeyDLJJOKSFGYBJDV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.53
Rot. Bonds3

About 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione

4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione (PubChem CID 117436103) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
PubChem CID117436103
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(CC3(N)CC3)cc2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-13(19)9-18(10-14(17)20)12-4-2-11(3-5-12)8-15(16)6-7-15/h2-5H,6-10,16H2,1H3
InChIKeyDLJJOKSFGYBJDV-UHFFFAOYSA-N
XLogP0.53
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione?
The IUPAC name of 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione (CID 117436103) is 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione is CN1C(=O)CN(c2ccc(CC3(N)CC3)cc2)CC1=O.
What is the InChIKey of 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione?
The InChIKey is DLJJOKSFGYBJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-13(19)9-18(10-14(17)20)12-4-2-11(3-5-12)8-15(16)6-7-15/h2-5H,6-10,16H2,1H3.
What are the key properties of 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione?
4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione has a molecular weight of 273.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione is sourced from PubChem (CID 117436103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).