N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

C11H15BrN4O2 — CID 137015705

IUPACN-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H15BrN4O2/c1-7(17)15-8-2-4-16(5-3-8)10-9(12)11(18)14-6-13-10/h6,8H,2-5H2,1H3,(H,15,17)(H,13,14,18)
InChIKeyIPQNNEPOWLGVOF-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.64
Rot. Bonds2

About N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide

N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 137015705) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID137015705
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC NameN-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H15BrN4O2/c1-7(17)15-8-2-4-16(5-3-8)10-9(12)11(18)14-6-13-10/h6,8H,2-5H2,1H3,(H,15,17)(H,13,14,18)
InChIKeyIPQNNEPOWLGVOF-UHFFFAOYSA-N
XLogP0.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide (CID 137015705) is N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is IPQNNEPOWLGVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-7(17)15-8-2-4-16(5-3-8)10-9(12)11(18)14-6-13-10/h6,8H,2-5H2,1H3,(H,15,17)(H,13,14,18).
What are the key properties of N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide?
N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 315.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 137015705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).