(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone

C16H16BrN3O2 — CID 56643230

IUPAC(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cn1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C16H16BrN3O2/c17-12-3-4-15(19-10-12)16(21)20-8-5-13(6-9-20)22-14-2-1-7-18-11-14/h1-4,7,10-11,13H,5-6,8-9H2
InChIKeyQCQBJGZUNQWWKH-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.92
Rot. Bonds3

About (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone

(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone (PubChem CID 56643230) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
PubChem CID56643230
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Br)cn1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C16H16BrN3O2/c17-12-3-4-15(19-10-12)16(21)20-8-5-13(6-9-20)22-14-2-1-7-18-11-14/h1-4,7,10-11,13H,5-6,8-9H2
InChIKeyQCQBJGZUNQWWKH-UHFFFAOYSA-N
XLogP2.92
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone (CID 56643230) is (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone is O=C(c1ccc(Br)cn1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
The InChIKey is QCQBJGZUNQWWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-12-3-4-15(19-10-12)16(21)20-8-5-13(6-9-20)22-14-2-1-7-18-11-14/h1-4,7,10-11,13H,5-6,8-9H2.
What are the key properties of (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone?
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone has a molecular weight of 362.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 56643230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).