(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone

C16H17BrN2O3 — CID 90566406

IUPAC(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(Br)o3)CC2)cn1
InChIInChI=1S/C16H17BrN2O3/c1-11-2-3-13(10-18-11)21-12-6-8-19(9-7-12)16(20)14-4-5-15(17)22-14/h2-5,10,12H,6-9H2,1H3
InChIKeyUEZZODNDWJDRKA-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.43
Rot. Bonds3

About (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone

(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 90566406) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID90566406
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(Br)o3)CC2)cn1
InChIInChI=1S/C16H17BrN2O3/c1-11-2-3-13(10-18-11)21-12-6-8-19(9-7-12)16(20)14-4-5-15(17)22-14/h2-5,10,12H,6-9H2,1H3
InChIKeyUEZZODNDWJDRKA-UHFFFAOYSA-N
XLogP3.43
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
CID 90566440
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566485
(5-bromofuran-2-yl)-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161358
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566474
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566437

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone (CID 90566406) is (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3ccc(Br)o3)CC2)cn1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is UEZZODNDWJDRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-11-2-3-13(10-18-11)21-12-6-8-19(9-7-12)16(20)14-4-5-15(17)22-14/h2-5,10,12H,6-9H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 365.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 90566406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).