oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

C15H21N3O3 — CID 121162054

IUPACoxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C15H21N3O3/c19-15(12-4-9-20-10-5-12)18-7-2-13(3-8-18)21-14-1-6-16-11-17-14/h1,6,11-13H,2-5,7-10H2
InChIKeyPQGOMMBBTRTWPF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.27
Rot. Bonds3

About oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone

oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 121162054) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID121162054
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameoxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C15H21N3O3/c19-15(12-4-9-20-10-5-12)18-7-2-13(3-8-18)21-14-1-6-16-11-17-14/h1,6,11-13H,2-5,7-10H2
InChIKeyPQGOMMBBTRTWPF-UHFFFAOYSA-N
XLogP1.27
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
5-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 121161754
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91815793
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 121162054) is oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is O=C(C1CCOCC1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is PQGOMMBBTRTWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-15(12-4-9-20-10-5-12)18-7-2-13(3-8-18)21-14-1-6-16-11-17-14/h1,6,11-13H,2-5,7-10H2.
What are the key properties of oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone?
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 121162054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).