pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

C15H16N4O2 — CID 90558789

IUPACpyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H16N4O2/c20-14(12-2-8-16-9-3-12)19-10-4-13(5-11-19)21-15-17-6-1-7-18-15/h1-3,6-9,13H,4-5,10-11H2
InChIKeyCDBADZMSGPTNQY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.56
Rot. Bonds3

About pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone

pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558789) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558789
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Namepyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H16N4O2/c20-14(12-2-8-16-9-3-12)19-10-4-13(5-11-19)21-15-17-6-1-7-18-15/h1-3,6-9,13H,4-5,10-11H2
InChIKeyCDBADZMSGPTNQY-UHFFFAOYSA-N
XLogP1.56
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
(4-propan-2-yloxyphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558657
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
(2-methylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558762
(3-fluoro-2-pyridinyl)-[4-(5-pyridin-4-ylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154583874
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807
6-[3-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)phenyl]-1H-pyrazin-2-one
CID 122568229
[3-(6-methylpyridazin-3-yl)phenyl]-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 119071365
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
4-[4-[(3-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide
CID 122143623

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 90558789) is pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1ccncc1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is CDBADZMSGPTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14(12-2-8-16-9-3-12)19-10-4-13(5-11-19)21-15-17-6-1-7-18-15/h1-3,6-9,13H,4-5,10-11H2.
What are the key properties of pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).