4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one

C11H14BrN3O2 — CID 167770733

IUPAC4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCOc1cnc(N2CCN(C)C(=O)C2)c(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-14-3-4-15(7-10(14)16)11-9(12)5-8(17-2)6-13-11/h5-6H,3-4,7H2,1-2H3
InChIKeyNWKBTARBOVGRBC-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.13
Rot. Bonds2

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

4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one (PubChem CID 167770733) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one
PubChem CID167770733
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one
SMILESCOc1cnc(N2CCN(C)C(=O)C2)c(Br)c1
InChIInChI=1S/C11H14BrN3O2/c1-14-3-4-15(7-10(14)16)11-9(12)5-8(17-2)6-13-11/h5-6H,3-4,7H2,1-2H3
InChIKeyNWKBTARBOVGRBC-UHFFFAOYSA-N
XLogP1.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one (CID 167770733) is 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one is COc1cnc(N2CCN(C)C(=O)C2)c(Br)c1.
What is the InChIKey of 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one?
The InChIKey is NWKBTARBOVGRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-14-3-4-15(7-10(14)16)11-9(12)5-8(17-2)6-13-11/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one?
4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one has a molecular weight of 300.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-methoxy-2-pyridinyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 167770733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).