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

C16H19N3O2S — CID 122243623

IUPAC1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1nccc(OC2CCCN(C(=O)Cc3cccs3)C2)n1
InChIInChI=1S/C16H19N3O2S/c1-12-17-7-6-15(18-12)21-13-4-2-8-19(11-13)16(20)10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3
InChIKeyCWUPXDVMTLADID-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.46
Rot. Bonds4

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

1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 122243623) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID122243623
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1nccc(OC2CCCN(C(=O)Cc3cccs3)C2)n1
InChIInChI=1S/C16H19N3O2S/c1-12-17-7-6-15(18-12)21-13-4-2-8-19(11-13)16(20)10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3
InChIKeyCWUPXDVMTLADID-UHFFFAOYSA-N
XLogP2.46
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
(E)-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122243608
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 122260878
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70786893
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260848
1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669953
1-(3-pyridin-2-yloxyazetidin-1-yl)-2-thiophen-2-ylethanone
CID 122247181
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
CID 122260909

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone (CID 122243623) is 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone is Cc1nccc(OC2CCCN(C(=O)Cc3cccs3)C2)n1.
What is the InChIKey of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is CWUPXDVMTLADID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-17-7-6-15(18-12)21-13-4-2-8-19(11-13)16(20)10-14-5-3-9-22-14/h3,5-7,9,13H,2,4,8,10-11H2,1H3.
What are the key properties of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 317.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 122243623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).