1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone

C20H23N3O3 — CID 122268269

IUPAC1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3ccc(C(C)=O)cc3)C2)nc1
InChIInChI=1S/C20H23N3O3/c1-3-15-11-21-20(22-12-15)26-18-5-4-10-23(13-18)19(25)17-8-6-16(7-9-17)14(2)24/h6-9,11-12,18H,3-5,10,13H2,1-2H3
InChIKeySXLZWVIJQUVQDK-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds5

About 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone

1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone (PubChem CID 122268269) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
PubChem CID122268269
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3ccc(C(C)=O)cc3)C2)nc1
InChIInChI=1S/C20H23N3O3/c1-3-15-11-21-20(22-12-15)26-18-5-4-10-23(13-18)19(25)17-8-6-16(7-9-17)14(2)24/h6-9,11-12,18H,3-5,10,13H2,1-2H3
InChIKeySXLZWVIJQUVQDK-UHFFFAOYSA-N
XLogP2.93
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 122268086
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 122268253
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122268274
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122268198
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122268248
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone (CID 122268269) is 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone is CCc1cnc(OC2CCCN(C(=O)c3ccc(C(C)=O)cc3)C2)nc1.
What is the InChIKey of 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is SXLZWVIJQUVQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-15-11-21-20(22-12-15)26-18-5-4-10-23(13-18)19(25)17-8-6-16(7-9-17)14(2)24/h6-9,11-12,18H,3-5,10,13H2,1-2H3.
What are the key properties of 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone?
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 353.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 122268269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).