(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

C18H19F2N3O2 — CID 122268032

IUPAC(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3c(F)cccc3F)C2)nc1
InChIInChI=1S/C18H19F2N3O2/c1-2-12-9-21-18(22-10-12)25-13-5-4-8-23(11-13)17(24)16-14(19)6-3-7-15(16)20/h3,6-7,9-10,13H,2,4-5,8,11H2,1H3
InChIKeyYZCRBWYJIBGGGU-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.00
Rot. Bonds4

About (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone

(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (PubChem CID 122268032) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
PubChem CID122268032
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
SMILESCCc1cnc(OC2CCCN(C(=O)c3c(F)cccc3F)C2)nc1
InChIInChI=1S/C18H19F2N3O2/c1-2-12-9-21-18(22-10-12)25-13-5-4-8-23(11-13)17(24)16-14(19)6-3-7-15(16)20/h3,6-7,9-10,13H,2,4-5,8,11H2,1H3
InChIKeyYZCRBWYJIBGGGU-UHFFFAOYSA-N
XLogP3.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
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
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinolin-2-ylmethanone
CID 122267966
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122268198
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 122268077
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122268248

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone (CID 122268032) is (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is CCc1cnc(OC2CCCN(C(=O)c3c(F)cccc3F)C2)nc1.
What is the InChIKey of (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
The InChIKey is YZCRBWYJIBGGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-12-9-21-18(22-10-12)25-13-5-4-8-23(11-13)17(24)16-14(19)6-3-7-15(16)20/h3,6-7,9-10,13H,2,4-5,8,11H2,1H3.
What are the key properties of (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone has a molecular weight of 347.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122268032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).