1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione

C16H21N3O2 — CID 117463810

IUPAC1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2ccccc2C2(CN)CCC2)C(=O)C1=O
InChIInChI=1S/C16H21N3O2/c1-18-9-10-19(15(21)14(18)20)13-6-3-2-5-12(13)16(11-17)7-4-8-16/h2-3,5-6H,4,7-11,17H2,1H3
InChIKeyWVOYBUZIZIBPPD-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.87
Rot. Bonds3

About 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione

1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione (PubChem CID 117463810) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione
PubChem CID117463810
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2ccccc2C2(CN)CCC2)C(=O)C1=O
InChIInChI=1S/C16H21N3O2/c1-18-9-10-19(15(21)14(18)20)13-6-3-2-5-12(13)16(11-17)7-4-8-16/h2-3,5-6H,4,7-11,17H2,1H3
InChIKeyWVOYBUZIZIBPPD-UHFFFAOYSA-N
XLogP0.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione (CID 117463810) is 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione is CN1CCN(c2ccccc2C2(CN)CCC2)C(=O)C1=O.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione?
The InChIKey is WVOYBUZIZIBPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-9-10-19(15(21)14(18)20)13-6-3-2-5-12(13)16(11-17)7-4-8-16/h2-3,5-6H,4,7-11,17H2,1H3.
What are the key properties of 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione?
1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione has a molecular weight of 287.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclobutyl]phenyl]-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 117463810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).