1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one

C11H14BrN3O — CID 104810261

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one
SMILESCC1NCCN(Cc2cncc(Br)c2)C1=O
InChIInChI=1S/C11H14BrN3O/c1-8-11(16)15(3-2-14-8)7-9-4-10(12)6-13-5-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyUIBDVYVGGDCBDJ-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.16
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one

1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one (PubChem CID 104810261) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one
PubChem CID104810261
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one
SMILESCC1NCCN(Cc2cncc(Br)c2)C1=O
InChIInChI=1S/C11H14BrN3O/c1-8-11(16)15(3-2-14-8)7-9-4-10(12)6-13-5-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeyUIBDVYVGGDCBDJ-UHFFFAOYSA-N
XLogP1.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(5-methyl-3-pyridinyl)methyl]piperazin-2-one
CID 102878684
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 55169367
1-[(4-bromo-2-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63606616
1-[(5-bromo-3-pyridinyl)methyl]-3-ethylpiperazine-2,5-dione
CID 104812805
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-2-one
CID 63258734
1-[(5-bromo-3-pyridinyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 104812641
1-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylpiperazine
CID 115741515
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one (CID 104810261) is 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one is CC1NCCN(Cc2cncc(Br)c2)C1=O.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one?
The InChIKey is UIBDVYVGGDCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-8-11(16)15(3-2-14-8)7-9-4-10(12)6-13-5-9/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one?
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 104810261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).