oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate

C17H25N3O4 — CID 122161137

IUPACoxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCCN(C(=O)OC3CCOCC3)C2)nc(C)n1
InChIInChI=1S/C17H25N3O4/c1-12-10-16(19-13(2)18-12)23-15-4-3-7-20(11-15)17(21)24-14-5-8-22-9-6-14/h10,14-15H,3-9,11H2,1-2H3
InChIKeyWWLPMXNYHNNEOD-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.25
Rot. Bonds3

About oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate

oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 122161137) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID122161137
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nameoxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCc1cc(OC2CCCN(C(=O)OC3CCOCC3)C2)nc(C)n1
InChIInChI=1S/C17H25N3O4/c1-12-10-16(19-13(2)18-12)23-15-4-3-7-20(11-15)17(21)24-14-5-8-22-9-6-14/h10,14-15H,3-9,11H2,1-2H3
InChIKeyWWLPMXNYHNNEOD-UHFFFAOYSA-N
XLogP2.25
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)oxy-N,N-diethylpiperidine-1-carboxamide
CID 122260550
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
CID 122260367
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
tert-butyl 3-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 143514654
(4-chlorophenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260264
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
CID 122260439
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122260371

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 122161137) is oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate is Cc1cc(OC2CCCN(C(=O)OC3CCOCC3)C2)nc(C)n1.
What is the InChIKey of oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is WWLPMXNYHNNEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-10-16(19-13(2)18-12)23-15-4-3-7-20(11-15)17(21)24-14-5-8-22-9-6-14/h10,14-15H,3-9,11H2,1-2H3.
What are the key properties of oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate?
oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 122161137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).