[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone

C17H20N4O2 — CID 122260367

IUPAC[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(OC2CCCN(C(=O)c3ccncc3)C2)nc(C)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-16(20-13(2)19-12)23-15-4-3-9-21(11-15)17(22)14-5-7-18-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3
InChIKeyZAMVHKFPSZBZSI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds3

About [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone

[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 122260367) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID122260367
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(OC2CCCN(C(=O)c3ccncc3)C2)nc(C)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-16(20-13(2)19-12)23-15-4-3-9-21(11-15)17(22)14-5-7-18-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3
InChIKeyZAMVHKFPSZBZSI-UHFFFAOYSA-N
XLogP2.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260264
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122260430
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122260371
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 122260177
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122260397
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122260327
3-(2,6-dimethylpyrimidin-4-yl)oxy-N,N-diethylpiperidine-1-carboxamide
CID 122260550
(5-chloro-2-methoxyphenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260273
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]-3,3,3-trifluoropropan-1-one
CID 122161131
oxan-4-yl 3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 122161137
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone (CID 122260367) is [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(OC2CCCN(C(=O)c3ccncc3)C2)nc(C)n1.
What is the InChIKey of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is ZAMVHKFPSZBZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-16(20-13(2)19-12)23-15-4-3-9-21(11-15)17(22)14-5-7-18-8-6-14/h5-8,10,15H,3-4,9,11H2,1-2H3.
What are the key properties of [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone?
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 122260367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).