(5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone

C20H19BrN4O2 — CID 50846435

IUPAC(5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H19BrN4O2/c21-17-11-16(12-22-13-17)20(26)25-8-6-14(7-9-25)10-18-23-24-19(27-18)15-4-2-1-3-5-15/h1-5,11-14H,6-10H2
InChIKeyYXFBNBXCUDLXNF-UHFFFAOYSA-N
MW427.30 g/mol
LogP3.99
Rot. Bonds4

About (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 50846435) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID50846435
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name(5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H19BrN4O2/c21-17-11-16(12-22-13-17)20(26)25-8-6-14(7-9-25)10-18-23-24-19(27-18)15-4-2-1-3-5-15/h1-5,11-14H,6-10H2
InChIKeyYXFBNBXCUDLXNF-UHFFFAOYSA-N
XLogP3.99
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone (CID 50846435) is (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1cncc(Br)c1)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is YXFBNBXCUDLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c21-17-11-16(12-22-13-17)20(26)25-8-6-14(7-9-25)10-18-23-24-19(27-18)15-4-2-1-3-5-15/h1-5,11-14H,6-10H2.
What are the key properties of (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 427.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50846435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).