2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide

C12H16BrN3O2 — CID 167923380

IUPAC2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide
SMILESNC(=O)CC1(O)CCCN(c2ccncc2Br)C1
InChIInChI=1S/C12H16BrN3O2/c13-9-7-15-4-2-10(9)16-5-1-3-12(18,8-16)6-11(14)17/h2,4,7,18H,1,3,5-6,8H2,(H2,14,17)
InChIKeyNVJKWLAIZPMPSY-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.05
Rot. Bonds3

About 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide

2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide (PubChem CID 167923380) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide
PubChem CID167923380
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide
SMILESNC(=O)CC1(O)CCCN(c2ccncc2Br)C1
InChIInChI=1S/C12H16BrN3O2/c13-9-7-15-4-2-10(9)16-5-1-3-12(18,8-16)6-11(14)17/h2,4,7,18H,1,3,5-6,8H2,(H2,14,17)
InChIKeyNVJKWLAIZPMPSY-UHFFFAOYSA-N
XLogP1.05
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide (CID 167923380) is 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide is NC(=O)CC1(O)CCCN(c2ccncc2Br)C1.
What is the InChIKey of 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide?
The InChIKey is NVJKWLAIZPMPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c13-9-7-15-4-2-10(9)16-5-1-3-12(18,8-16)6-11(14)17/h2,4,7,18H,1,3,5-6,8H2,(H2,14,17).
What are the key properties of 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide?
2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide has a molecular weight of 314.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide is sourced from PubChem (CID 167923380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).