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

C15H21N3O3 — CID 74238548

IUPACoxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(C1CCCCO1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(13-4-1-2-11-20-13)18-9-5-12(6-10-18)21-15-16-7-3-8-17-15/h3,7-8,12-13H,1-2,4-6,9-11H2
InChIKeyQWIGXTCCKBWCSE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.42
Rot. Bonds3

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

oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 74238548) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID74238548
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameoxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(C1CCCCO1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(13-4-1-2-11-20-13)18-9-5-12(6-10-18)21-15-16-7-3-8-17-15/h3,7-8,12-13H,1-2,4-6,9-11H2
InChIKeyQWIGXTCCKBWCSE-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789
(1-methylpiperidin-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 71799141
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
2-[1-(oxane-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 55250892
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258
2,2,2-trifluoro-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558807
[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
CID 42190251
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 129335412
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
naphthalen-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558697
(3,4-dihydroxypyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 106671015

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 74238548) is oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(C1CCCCO1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is QWIGXTCCKBWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(13-4-1-2-11-20-13)18-9-5-12(6-10-18)21-15-16-7-3-8-17-15/h3,7-8,12-13H,1-2,4-6,9-11H2.
What are the key properties of oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone?
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 74238548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).