[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone

C16H23N3O3 — CID 121160979

IUPAC[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1cc(OC2CCN(C(=O)C3CCOC3)CC2)nc(C)n1
InChIInChI=1S/C16H23N3O3/c1-11-9-15(18-12(2)17-11)22-14-3-6-19(7-4-14)16(20)13-5-8-21-10-13/h9,13-14H,3-8,10H2,1-2H3
InChIKeyLDZFUGKAIDSBML-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.50
Rot. Bonds3

About [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone

[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 121160979) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID121160979
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1cc(OC2CCN(C(=O)C3CCOC3)CC2)nc(C)n1
InChIInChI=1S/C16H23N3O3/c1-11-9-15(18-12(2)17-11)22-14-3-6-19(7-4-14)16(20)13-5-8-21-10-13/h9,13-14H,3-8,10H2,1-2H3
InChIKeyLDZFUGKAIDSBML-UHFFFAOYSA-N
XLogP1.50
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121017914
[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 100628592
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 122161137
3-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 121160777
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122341099

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone (CID 121160979) is [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone is Cc1cc(OC2CCN(C(=O)C3CCOC3)CC2)nc(C)n1.
What is the InChIKey of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is LDZFUGKAIDSBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-9-15(18-12(2)17-11)22-14-3-6-19(7-4-14)16(20)13-5-8-21-10-13/h9,13-14H,3-8,10H2,1-2H3.
What are the key properties of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone?
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 305.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 121160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).