1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one

C12H20BrN3O2 — CID 114328233

IUPAC1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESCC(C)(Br)C(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C12H20BrN3O2/c1-12(2,13)10(17)15-6-3-9(4-7-15)16-8-5-14-11(16)18/h9H,3-8H2,1-2H3,(H,14,18)
InChIKeyRHYAJSOQWJNLSN-UHFFFAOYSA-N
MW318.22 g/mol
LogP1.18
Rot. Bonds2

About 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 114328233) has the molecular formula C12H20BrN3O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID114328233
Molecular FormulaC12H20BrN3O2
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
SMILESCC(C)(Br)C(=O)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C12H20BrN3O2/c1-12(2,13)10(17)15-6-3-9(4-7-15)16-8-5-14-11(16)18/h9H,3-8H2,1-2H3,(H,14,18)
InChIKeyRHYAJSOQWJNLSN-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 71933552
7-(2-bromo-2-methylpropanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114328869
1-[1-[2-(methylamino)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 54872430
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628072
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61062075
1-[1-(4-aminocyclohexanecarbonyl)piperidin-4-yl]imidazolidin-2-one
CID 60947074
1-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 115370558
1-(1-propylpiperidin-4-yl)imidazolidin-2-one
CID 18340097
1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one (CID 114328233) is 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one is CC(C)(Br)C(=O)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is RHYAJSOQWJNLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2/c1-12(2,13)10(17)15-6-3-9(4-7-15)16-8-5-14-11(16)18/h9H,3-8H2,1-2H3,(H,14,18).
What are the key properties of 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 318.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 114328233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).