[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone

C17H21N3O2S — CID 122268155

IUPAC[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3cc(C)cs3)C2)nc1
InChIInChI=1S/C17H21N3O2S/c1-3-13-8-18-17(19-9-13)22-14-5-4-6-20(10-14)16(21)15-7-12(2)11-23-15/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyVAFNGWGFYKWGKE-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.09
Rot. Bonds4

About [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 122268155) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID122268155
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3cc(C)cs3)C2)nc1
InChIInChI=1S/C17H21N3O2S/c1-3-13-8-18-17(19-9-13)22-14-5-4-6-20(10-14)16(21)15-7-12(2)11-23-15/h7-9,11,14H,3-6,10H2,1-2H3
InChIKeyVAFNGWGFYKWGKE-UHFFFAOYSA-N
XLogP3.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268109
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122268274
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 122268217
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
CID 122268218
3-(5-ethylpyrimidin-2-yl)oxy-N-pentan-3-ylpiperidine-1-carboxamide
CID 122268315

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 122268155) is [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone is CCc1cnc(OC2CCCN(C(=O)c3cc(C)cs3)C2)nc1.
What is the InChIKey of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is VAFNGWGFYKWGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-13-8-18-17(19-9-13)22-14-5-4-6-20(10-14)16(21)15-7-12(2)11-23-15/h7-9,11,14H,3-6,10H2,1-2H3.
What are the key properties of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 122268155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).