2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide

C12H17BrN4O — CID 79532624

IUPAC2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ncc(N)cc2Br)CC1
InChIInChI=1S/C12H17BrN4O/c13-10-6-9(14)7-16-12(10)17-3-1-8(2-4-17)5-11(15)18/h6-8H,1-5,14H2,(H2,15,18)
InChIKeyLTDKHIGQPVPMNM-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.52
Rot. Bonds3

About 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide

2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide (PubChem CID 79532624) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
PubChem CID79532624
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2ncc(N)cc2Br)CC1
InChIInChI=1S/C12H17BrN4O/c13-10-6-9(14)7-16-12(10)17-3-1-8(2-4-17)5-11(15)18/h6-8H,1-5,14H2,(H2,15,18)
InChIKeyLTDKHIGQPVPMNM-UHFFFAOYSA-N
XLogP1.52
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide (CID 79532624) is 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2ncc(N)cc2Br)CC1.
What is the InChIKey of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide?
The InChIKey is LTDKHIGQPVPMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c13-10-6-9(14)7-16-12(10)17-3-1-8(2-4-17)5-11(15)18/h6-8H,1-5,14H2,(H2,15,18).
What are the key properties of 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide?
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide has a molecular weight of 313.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 79532624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).