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

C14H19BrN4O2 — CID 38274995

IUPAC[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2
InChIKeyGSDQFDQHPRPTMW-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.42
Rot. Bonds1

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

[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 38274995) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID38274995
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2
InChIKeyGSDQFDQHPRPTMW-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 38274995) is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GSDQFDQHPRPTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2.
What are the key properties of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 355.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38274995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).