(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C12H16BrN3O2 — CID 114194040

IUPAC(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(N)ncc2Br)C1
InChIInChI=1S/C12H16BrN3O2/c1-12(18)3-2-4-16(7-12)11(17)8-5-10(14)15-6-9(8)13/h5-6,18H,2-4,7H2,1H3,(H2,14,15)
InChIKeyBUHNZGLDQKAOOY-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.41
Rot. Bonds1

About (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114194040) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114194040
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cc(N)ncc2Br)C1
InChIInChI=1S/C12H16BrN3O2/c1-12(18)3-2-4-16(7-12)11(17)8-5-10(14)15-6-9(8)13/h5-6,18H,2-4,7H2,1H3,(H2,14,15)
InChIKeyBUHNZGLDQKAOOY-UHFFFAOYSA-N
XLogP1.41
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344085
(2-amino-5-bromo-4-pyridinyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236465
(3-amino-2,5-difluorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107121477
(1-chloroisoquinolin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 106766427
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 114193900
(2,5-dichlorophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344075
(2-amino-6-methylpyrimidin-4-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114220466
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 115874915
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3-bromo-5-methylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113463392
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methyl-1,2-oxazol-5-yl)methanone
CID 115875321
(3-bromothiophen-2-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874812

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114194040) is (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is CC1(O)CCCN(C(=O)c2cc(N)ncc2Br)C1.
What is the InChIKey of (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is BUHNZGLDQKAOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-12(18)3-2-4-16(7-12)11(17)8-5-10(14)15-6-9(8)13/h5-6,18H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-4-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114194040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).