(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone

C16H15BrClN3O2 — CID 71798825

IUPAC(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C16H15BrClN3O2/c17-12-8-11(9-19-10-12)16(22)21-6-3-13(4-7-21)23-15-14(18)2-1-5-20-15/h1-2,5,8-10,13H,3-4,6-7H2
InChIKeyBHTDFADYEMLUBW-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.58
Rot. Bonds3

About (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 71798825) has the molecular formula C16H15BrClN3O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID71798825
Molecular FormulaC16H15BrClN3O2
Molecular Weight396.67 g/mol
Exact Mass395.00
IUPAC Name(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESO=C(c1cncc(Br)c1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C16H15BrClN3O2/c17-12-8-11(9-19-10-12)16(22)21-6-3-13(4-7-21)23-15-14(18)2-1-5-20-15/h1-2,5,8-10,13H,3-4,6-7H2
InChIKeyBHTDFADYEMLUBW-UHFFFAOYSA-N
XLogP3.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 71799506
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
(5-bromo-3-pyridinyl)-[3-[(4-chloro-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
CID 71796217

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 71798825) is (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone is O=C(c1cncc(Br)c1)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is BHTDFADYEMLUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O2/c17-12-8-11(9-19-10-12)16(22)21-6-3-13(4-7-21)23-15-14(18)2-1-5-20-15/h1-2,5,8-10,13H,3-4,6-7H2.
What are the key properties of (5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 396.67 g/mol, XLogP of 3.58, 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-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).