4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione

C16H21N3O2 — CID 117463814

IUPAC4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(C3(CN)CCC3)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-14(20)9-19(10-15(18)21)13-5-3-12(4-6-13)16(11-17)7-2-8-16/h3-6H,2,7-11,17H2,1H3
InChIKeyBURLNKGHBGPCGT-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.87
Rot. Bonds3

About 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione

4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione (PubChem CID 117463814) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione
PubChem CID117463814
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione
SMILESCN1C(=O)CN(c2ccc(C3(CN)CCC3)cc2)CC1=O
InChIInChI=1S/C16H21N3O2/c1-18-14(20)9-19(10-15(18)21)13-5-3-12(4-6-13)16(11-17)7-2-8-16/h3-6H,2,7-11,17H2,1H3
InChIKeyBURLNKGHBGPCGT-UHFFFAOYSA-N
XLogP0.87
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117436103
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
1-[3-[1-(aminomethyl)cyclopentyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485623
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
CID 117113179
4-[3-(1-aminocyclopentyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117463789
6-[1-(aminomethyl)cyclobutyl]-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 117438709
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[4-[1-(aminomethyl)cyclobutyl]phenyl] methanesulfonate
CID 117391535
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
4-[4-(isocyanatomethyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117401371

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione?
The IUPAC name of 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione (CID 117463814) is 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione is CN1C(=O)CN(c2ccc(C3(CN)CCC3)cc2)CC1=O.
What is the InChIKey of 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione?
The InChIKey is BURLNKGHBGPCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-14(20)9-19(10-15(18)21)13-5-3-12(4-6-13)16(11-17)7-2-8-16/h3-6H,2,7-11,17H2,1H3.
What are the key properties of 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione?
4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione has a molecular weight of 287.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione is sourced from PubChem (CID 117463814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).