(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C17H24BrN3O2 — CID 90616461

IUPAC(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3cncc(Br)c3)CC2)CC1
InChIInChI=1S/C17H24BrN3O2/c1-23-16-4-8-20(9-5-16)15-2-6-21(7-3-15)17(22)13-10-14(18)12-19-11-13/h10-12,15-16H,2-9H2,1H3
InChIKeyOXTLCJWOZMDGAZ-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.56
Rot. Bonds3

About (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616461) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616461
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3cncc(Br)c3)CC2)CC1
InChIInChI=1S/C17H24BrN3O2/c1-23-16-4-8-20(9-5-16)15-2-6-21(7-3-15)17(22)13-10-14(18)12-19-11-13/h10-12,15-16H,2-9H2,1H3
InChIKeyOXTLCJWOZMDGAZ-UHFFFAOYSA-N
XLogP2.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616463
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
(5-bromo-3-pyridinyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627007
(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616553
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
methyl 3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3578928
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 107108777
methyl 2-[1-(5-bromopyridine-3-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264281

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616461) is (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3cncc(Br)c3)CC2)CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is OXTLCJWOZMDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-23-16-4-8-20(9-5-16)15-2-6-21(7-3-15)17(22)13-10-14(18)12-19-11-13/h10-12,15-16H,2-9H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 382.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).