2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone

C18H27N3O2 — CID 122257743

IUPAC2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)CC3CCCC3)C2)n1
InChIInChI=1S/C18H27N3O2/c1-13-10-14(2)20-18(19-13)23-16-8-5-9-21(12-16)17(22)11-15-6-3-4-7-15/h10,15-16H,3-9,11-12H2,1-2H3
InChIKeyFESAYAWZSFHUFK-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.04
Rot. Bonds4

About 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone

2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122257743) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
PubChem CID122257743
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)CC3CCCC3)C2)n1
InChIInChI=1S/C18H27N3O2/c1-13-10-14(2)20-18(19-13)23-16-8-5-9-21(12-16)17(22)11-15-6-3-4-7-15/h10,15-16H,3-9,11-12H2,1-2H3
InChIKeyFESAYAWZSFHUFK-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

[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl] acetate
CID 122267162
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 122258109
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122257996
1-(4-chlorophenyl)-4-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]butane-1,4-dione
CID 122257704
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 122257957
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 122258032
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 122257980

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone (CID 122257743) is 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone is Cc1cc(C)nc(OC2CCCN(C(=O)CC3CCCC3)C2)n1.
What is the InChIKey of 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is FESAYAWZSFHUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-10-14(2)20-18(19-13)23-16-8-5-9-21(12-16)17(22)11-15-6-3-4-7-15/h10,15-16H,3-9,11-12H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(4,6-dimethylpyrimidin-2-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-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122257743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).