2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C16H18N4O3 — CID 121161768

IUPAC2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1cccnc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C16H18N4O3/c21-16(11-22-14-2-1-6-17-10-14)20-8-4-13(5-9-20)23-15-3-7-18-12-19-15/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyKGUDSGKUUANJKC-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.32
Rot. Bonds5

About 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 121161768) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID121161768
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1cccnc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C16H18N4O3/c21-16(11-22-14-2-1-6-17-10-14)20-8-4-13(5-9-20)23-15-3-7-18-12-19-15/h1-3,6-7,10,12-13H,4-5,8-9,11H2
InChIKeyKGUDSGKUUANJKC-UHFFFAOYSA-N
XLogP1.32
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161902
1-(4-pyrimidin-4-yloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121162129
2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161897
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 121162017
(5-pyridin-3-yl-1,2-oxazol-3-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162062
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 121161768) is 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is O=C(COc1cccnc1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is KGUDSGKUUANJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-16(11-22-14-2-1-6-17-10-14)20-8-4-13(5-9-20)23-15-3-7-18-12-19-15/h1-3,6-7,10,12-13H,4-5,8-9,11H2.
What are the key properties of 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 314.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 121161768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).