2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone

C18H27N3O2 — CID 121160781

IUPAC2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cc(OC2CCN(C(=O)CC3CCCC3)CC2)nc(C)n1
InChIInChI=1S/C18H27N3O2/c1-13-11-17(20-14(2)19-13)23-16-7-9-21(10-8-16)18(22)12-15-5-3-4-6-15/h11,15-16H,3-10,12H2,1-2H3
InChIKeyAABJZGCCWHNYSR-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.04
Rot. Bonds4

About 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone (PubChem CID 121160781) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
PubChem CID121160781
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cc(OC2CCN(C(=O)CC3CCCC3)CC2)nc(C)n1
InChIInChI=1S/C18H27N3O2/c1-13-11-17(20-14(2)19-13)23-16-7-9-21(10-8-16)18(22)12-15-5-3-4-6-15/h11,15-16H,3-10,12H2,1-2H3
InChIKeyAABJZGCCWHNYSR-UHFFFAOYSA-N
XLogP3.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 121160777
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 121160844
4-cyclobutyloxy-2,6-dimethylpyrimidine
CID 126953843
2-(1,3-benzodioxol-5-yl)-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160952
2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122257743
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 121160983
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone (CID 121160781) is 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone is Cc1cc(OC2CCN(C(=O)CC3CCCC3)CC2)nc(C)n1.
What is the InChIKey of 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is AABJZGCCWHNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-11-17(20-14(2)19-13)23-16-7-9-21(10-8-16)18(22)12-15-5-3-4-6-15/h11,15-16H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121160781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).