(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one

C11H14BrN3O — CID 125487244

IUPAC(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one
SMILESCN1CC[C@H](c2cnc(N)c(Br)c2)CC1=O
InChIInChI=1S/C11H14BrN3O/c1-15-3-2-7(5-10(15)16)8-4-9(12)11(13)14-6-8/h4,6-7H,2-3,5H2,1H3,(H2,13,14)/t7-/m0/s1
InChIKeyAONCTBMKRFAUJU-ZETCQYMHSA-N
MW284.16 g/mol
LogP1.76
Rot. Bonds1

About (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one

(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one (PubChem CID 125487244) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one
PubChem CID125487244
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one
SMILESCN1CC[C@H](c2cnc(N)c(Br)c2)CC1=O
InChIInChI=1S/C11H14BrN3O/c1-15-3-2-7(5-10(15)16)8-4-9(12)11(13)14-6-8/h4,6-7H,2-3,5H2,1H3,(H2,13,14)/t7-/m0/s1
InChIKeyAONCTBMKRFAUJU-ZETCQYMHSA-N
XLogP1.76
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one?
The IUPAC name of (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one (CID 125487244) is (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one.
What is the SMILES notation for (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one?
The canonical SMILES for (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one is CN1CC[C@H](c2cnc(N)c(Br)c2)CC1=O.
What is the InChIKey of (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one?
The InChIKey is AONCTBMKRFAUJU-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-15-3-2-7(5-10(15)16)8-4-9(12)11(13)14-6-8/h4,6-7H,2-3,5H2,1H3,(H2,13,14)/t7-/m0/s1.
What are the key properties of (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one?
(4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 125487244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).