3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one

C13H19BrN4O — CID 62668903

IUPAC3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H19BrN4O/c1-10(8-15)13(19)18-6-4-17(5-7-18)12-3-2-11(14)9-16-12/h2-3,9-10H,4-8,15H2,1H3
InChIKeyTZPUZISQUKQQKM-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.09
Rot. Bonds3

About 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one

3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 62668903) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID62668903
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H19BrN4O/c1-10(8-15)13(19)18-6-4-17(5-7-18)12-3-2-11(14)9-16-12/h2-3,9-10H,4-8,15H2,1H3
InChIKeyTZPUZISQUKQQKM-UHFFFAOYSA-N
XLogP1.09
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 103929235
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 55675537
(2R,3S)-3-[4-(5-bromo-2-pyridinyl)piperazine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
CID 11618816
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 63339651
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 60547640
(5R)-5-[(2S)-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 67333766
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55656681
(2-aminophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119946518
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one (CID 62668903) is 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one is CC(CN)C(=O)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is TZPUZISQUKQQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-10(8-15)13(19)18-6-4-17(5-7-18)12-3-2-11(14)9-16-12/h2-3,9-10H,4-8,15H2,1H3.
What are the key properties of 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one?
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 327.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 62668903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).