1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone

C17H21N3O2S — CID 122268217

IUPAC1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCCc1cnc(OC2CCCN(C(=O)Cc3ccsc3)C2)nc1
InChIInChI=1S/C17H21N3O2S/c1-2-13-9-18-17(19-10-13)22-15-4-3-6-20(11-15)16(21)8-14-5-7-23-12-14/h5,7,9-10,12,15H,2-4,6,8,11H2,1H3
InChIKeyRUAWVTCDZKQDCW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.71
Rot. Bonds5

About 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 122268217) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID122268217
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCCc1cnc(OC2CCCN(C(=O)Cc3ccsc3)C2)nc1
InChIInChI=1S/C17H21N3O2S/c1-2-13-9-18-17(19-10-13)22-15-4-3-6-20(11-15)16(21)8-14-5-7-23-12-14/h5,7,9-10,12,15H,2-4,6,8,11H2,1H3
InChIKeyRUAWVTCDZKQDCW-UHFFFAOYSA-N
XLogP2.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122257996
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 122268139
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 122268077
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 100643060
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 122267952
3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628045
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone (CID 122268217) is 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone is CCc1cnc(OC2CCCN(C(=O)Cc3ccsc3)C2)nc1.
What is the InChIKey of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is RUAWVTCDZKQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-13-9-18-17(19-10-13)22-15-4-3-6-20(11-15)16(21)8-14-5-7-23-12-14/h5,7,9-10,12,15H,2-4,6,8,11H2,1H3.
What are the key properties of 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 331.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 122268217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).