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

C15H23BrN4O — CID 103929235

IUPAC(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H23BrN4O/c1-15(2,3)13(17)14(21)20-8-6-19(7-9-20)12-5-4-11(16)10-18-12/h4-5,10,13H,6-9,17H2,1-3H3/t13-/m0/s1
InChIKeyPYVXJKLJNLXQOY-ZDUSSCGKSA-N
MW355.28 g/mol
LogP1.87
Rot. Bonds2

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

(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 103929235) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID103929235
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C15H23BrN4O/c1-15(2,3)13(17)14(21)20-8-6-19(7-9-20)12-5-4-11(16)10-18-12/h4-5,10,13H,6-9,17H2,1-3H3/t13-/m0/s1
InChIKeyPYVXJKLJNLXQOY-ZDUSSCGKSA-N
XLogP1.87
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Related Compounds

2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044
3-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 62668903
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]isoindole-1,3-dione
CID 55675537
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
(2R,3S)-3-[4-(5-bromo-2-pyridinyl)piperazine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
CID 11618816
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-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 75513891
[(1R,2R)-2-aminocyclopentyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 124510949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 103929235) is (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)[C@@H](N)C(=O)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is PYVXJKLJNLXQOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-15(2,3)13(17)14(21)20-8-6-19(7-9-20)12-5-4-11(16)10-18-12/h4-5,10,13H,6-9,17H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 355.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103929235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).