1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione

C14H23BrN2O2 — CID 79937562

IUPAC1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC2(CBr)CCCCCC2)CC1=O
InChIInChI=1S/C14H23BrN2O2/c1-16-8-13(19)17(9-12(16)18)11-14(10-15)6-4-2-3-5-7-14/h2-11H2,1H3
InChIKeyMFULZCCGDLXSCX-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.02
Rot. Bonds3

About 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione

1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione (PubChem CID 79937562) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione
PubChem CID79937562
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC2(CBr)CCCCCC2)CC1=O
InChIInChI=1S/C14H23BrN2O2/c1-16-8-13(19)17(9-12(16)18)11-14(10-15)6-4-2-3-5-7-14/h2-11H2,1H3
InChIKeyMFULZCCGDLXSCX-UHFFFAOYSA-N
XLogP2.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Bromomethyl)-2-ethylbutyl]-4-ethylpiperazine-2,3-dione
CID 64998560
1-[2-(Bromomethyl)-2-ethylbutyl]-4-methylpiperazine-2,3-dione
CID 64999043
1-[[1-(Bromomethyl)cyclopentyl]methyl]-4-ethylpiperazine-2,3-dione
CID 65000961
1-[[1-(Bromomethyl)cyclopentyl]methyl]-4-methylpiperazine-2,3-dione
CID 65001437
1-[[1-(Bromomethyl)cyclohexyl]methyl]-4-ethylpiperazine-2,3-dione
CID 65001980
1-[4-[[1-(Bromomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanone
CID 65002167
1-[[1-(Bromomethyl)cyclohexyl]methyl]-4-methylpiperazine-2,3-dione
CID 65002242
1-[4-[2-(Bromomethyl)-2-propylpentyl]piperazin-1-yl]ethanone
CID 65005464
1-[2-(Bromomethyl)-2-propylpentyl]-4-ethylpiperazine-2,3-dione
CID 65005925
1-[2-(Bromomethyl)-2-propylpentyl]-4-methylpiperazine-2,3-dione
CID 65005928
1-[[1-(Bromomethyl)cyclobutyl]methyl]-4-methylpiperazine-2,3-dione
CID 65007780
1-[[1-(Bromomethyl)cyclobutyl]methyl]-4-ethylpiperazine-2,3-dione
CID 65008087

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione (CID 79937562) is 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CC2(CBr)CCCCCC2)CC1=O.
What is the InChIKey of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is MFULZCCGDLXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-16-8-13(19)17(9-12(16)18)11-14(10-15)6-4-2-3-5-7-14/h2-11H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione?
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 331.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cycloheptyl]methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79937562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).