1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one

C15H21BrN4O — CID 133451492

IUPAC1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESCc1nc(N2CCC(N3CCCNC3=O)CC2)ccc1Br
InChIInChI=1S/C15H21BrN4O/c1-11-13(16)3-4-14(18-11)19-9-5-12(6-10-19)20-8-2-7-17-15(20)21/h3-4,12H,2,5-10H2,1H3,(H,17,21)
InChIKeyZFIVHUHQNHRRMM-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.54
Rot. Bonds2

About 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one

1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 133451492) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID133451492
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESCc1nc(N2CCC(N3CCCNC3=O)CC2)ccc1Br
InChIInChI=1S/C15H21BrN4O/c1-11-13(16)3-4-14(18-11)19-9-5-12(6-10-19)20-8-2-7-17-15(20)21/h3-4,12H,2,5-10H2,1H3,(H,17,21)
InChIKeyZFIVHUHQNHRRMM-UHFFFAOYSA-N
XLogP2.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one (CID 133451492) is 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one is Cc1nc(N2CCC(N3CCCNC3=O)CC2)ccc1Br.
What is the InChIKey of 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is ZFIVHUHQNHRRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-11-13(16)3-4-14(18-11)19-9-5-12(6-10-19)20-8-2-7-17-15(20)21/h3-4,12H,2,5-10H2,1H3,(H,17,21).
What are the key properties of 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 353.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 133451492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).