[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone

C15H21BrN4O2 — CID 133373263

IUPAC[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Br)cnc1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H21BrN4O2/c1-12-10-13(16)11-17-14(12)18-2-4-19(5-3-18)15(21)20-6-8-22-9-7-20/h10-11H,2-9H2,1H3
InChIKeyCVUCOOVAIYOCDX-UHFFFAOYSA-N
MW369.26 g/mol
LogP1.73
Rot. Bonds1

About [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 133373263) has the molecular formula C15H21BrN4O2 and a molecular weight of 369.26 g/mol. Its IUPAC name is [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID133373263
Molecular FormulaC15H21BrN4O2
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1cc(Br)cnc1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H21BrN4O2/c1-12-10-13(16)11-17-14(12)18-2-4-19(5-3-18)15(21)20-6-8-22-9-7-20/h10-11H,2-9H2,1H3
InChIKeyCVUCOOVAIYOCDX-UHFFFAOYSA-N
XLogP1.73
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 133373263) is [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone is Cc1cc(Br)cnc1N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CVUCOOVAIYOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2/c1-12-10-13(16)11-17-14(12)18-2-4-19(5-3-18)15(21)20-6-8-22-9-7-20/h10-11H,2-9H2,1H3.
What are the key properties of [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 369.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133373263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).