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

C19H23N3O2 — CID 122268002

IUPAC[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3cccc(C)c3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-3-15-11-20-19(21-12-15)24-17-8-5-9-22(13-17)18(23)16-7-4-6-14(2)10-16/h4,6-7,10-12,17H,3,5,8-9,13H2,1-2H3
InChIKeyGIXNZHAVYBFJLI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.03
Rot. Bonds4

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

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 122268002) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID122268002
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3cccc(C)c3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-3-15-11-20-19(21-12-15)24-17-8-5-9-22(13-17)18(23)16-7-4-6-14(2)10-16/h4,6-7,10-12,17H,3,5,8-9,13H2,1-2H3
InChIKeyGIXNZHAVYBFJLI-UHFFFAOYSA-N
XLogP3.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122268198
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
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
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122268274
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 122268086
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 122268253

Frequently Asked Questions

What is the IUPAC name of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone (CID 122268002) is [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone is CCc1cnc(OC2CCCN(C(=O)c3cccc(C)c3)C2)nc1.
What is the InChIKey of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is GIXNZHAVYBFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-15-11-20-19(21-12-15)24-17-8-5-9-22(13-17)18(23)16-7-4-6-14(2)10-16/h4,6-7,10-12,17H,3,5,8-9,13H2,1-2H3.
What are the key properties of [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone?
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 122268002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).