4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one

C12H14BrN3O — CID 71924857

IUPAC4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one
SMILESO=C1CN(c2cncc(Br)c2)CCN1C1CC1
InChIInChI=1S/C12H14BrN3O/c13-9-5-11(7-14-6-9)15-3-4-16(10-1-2-10)12(17)8-15/h5-7,10H,1-4,8H2
InChIKeyJEXWCTWRSVYIDD-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.66
Rot. Bonds2

About 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one

4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one (PubChem CID 71924857) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one
PubChem CID71924857
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one
SMILESO=C1CN(c2cncc(Br)c2)CCN1C1CC1
InChIInChI=1S/C12H14BrN3O/c13-9-5-11(7-14-6-9)15-3-4-16(10-1-2-10)12(17)8-15/h5-7,10H,1-4,8H2
InChIKeyJEXWCTWRSVYIDD-UHFFFAOYSA-N
XLogP1.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one (CID 71924857) is 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one is O=C1CN(c2cncc(Br)c2)CCN1C1CC1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one?
The InChIKey is JEXWCTWRSVYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c13-9-5-11(7-14-6-9)15-3-4-16(10-1-2-10)12(17)8-15/h5-7,10H,1-4,8H2.
What are the key properties of 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one?
4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one has a molecular weight of 296.17 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 71924857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).