[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C20H25N3O2S — CID 122260878

IUPAC[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nccc(OC2CCCN(C(=O)C3(c4cccs4)CCCC3)C2)n1
InChIInChI=1S/C20H25N3O2S/c1-15-21-11-8-18(22-15)25-16-6-4-12-23(14-16)19(24)20(9-2-3-10-20)17-7-5-13-26-17/h5,7-8,11,13,16H,2-4,6,9-10,12,14H2,1H3
InChIKeyABWSUHXVCRCIRU-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.73
Rot. Bonds4

About [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 122260878) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID122260878
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCc1nccc(OC2CCCN(C(=O)C3(c4cccs4)CCCC3)C2)n1
InChIInChI=1S/C20H25N3O2S/c1-15-21-11-8-18(22-15)25-16-6-4-12-23(14-16)19(24)20(9-2-3-10-20)17-7-5-13-26-17/h5,7-8,11,13,16H,2-4,6,9-10,12,14H2,1H3
InChIKeyABWSUHXVCRCIRU-UHFFFAOYSA-N
XLogP3.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122261417
[1-(4-chlorophenyl)cyclopentyl]-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260812
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90638767
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122243623
(E)-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122243608
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90637462
(3-pyridin-2-yloxyazetidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 122247258
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 122260878) is [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is Cc1nccc(OC2CCCN(C(=O)C3(c4cccs4)CCCC3)C2)n1.
What is the InChIKey of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is ABWSUHXVCRCIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-21-11-8-18(22-15)25-16-6-4-12-23(14-16)19(24)20(9-2-3-10-20)17-7-5-13-26-17/h5,7-8,11,13,16H,2-4,6,9-10,12,14H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 371.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 122260878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).