[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone

C18H19BrN2O3 — CID 55687326

IUPAC[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H19BrN2O3/c1-23-14-8-11-21(12-9-14)18(22)16-3-2-10-20-17(16)24-15-6-4-13(19)5-7-15/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyPFALAJOZUMJXBV-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.89
Rot. Bonds4

About [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone

[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 55687326) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID55687326
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C18H19BrN2O3/c1-23-14-8-11-21(12-9-14)18(22)16-3-2-10-20-17(16)24-15-6-4-13(19)5-7-15/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyPFALAJOZUMJXBV-UHFFFAOYSA-N
XLogP3.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenoxy)-3-pyridinyl]methanone
CID 119482701
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone (CID 55687326) is [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cccnc2Oc2ccc(Br)cc2)CC1.
What is the InChIKey of [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is PFALAJOZUMJXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-23-14-8-11-21(12-9-14)18(22)16-3-2-10-20-17(16)24-15-6-4-13(19)5-7-15/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
[2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 391.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenoxy)-3-pyridinyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 55687326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).