5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

C18H22FN3O4S — CID 122268447

IUPAC5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3ccc(OC)c(F)c3)C2)nc1
InChIInChI=1S/C18H22FN3O4S/c1-3-13-10-20-18(21-11-13)26-14-5-4-8-22(12-14)27(23,24)15-6-7-17(25-2)16(19)9-15/h6-7,9-11,14H,3-5,8,12H2,1-2H3
InChIKeyFVOONNFQQUCMHZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.42
Rot. Bonds6

About 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine

5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (PubChem CID 122268447) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
PubChem CID122268447
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
SMILESCCc1cnc(OC2CCCN(S(=O)(=O)c3ccc(OC)c(F)c3)C2)nc1
InChIInChI=1S/C18H22FN3O4S/c1-3-13-10-20-18(21-11-13)26-14-5-4-8-22(12-14)27(23,24)15-6-7-17(25-2)16(19)9-15/h6-7,9-11,14H,3-5,8,12H2,1-2H3
InChIKeyFVOONNFQQUCMHZ-UHFFFAOYSA-N
XLogP2.42
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259663
5-chloro-2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259604
methyl 3-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-4-methoxybenzoate
CID 122268483
5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
5-chloro-2-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122259645
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
6-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122268486
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268391
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
5-ethyl-2-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122268448

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The IUPAC name of 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine (CID 122268447) is 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is CCc1cnc(OC2CCCN(S(=O)(=O)c3ccc(OC)c(F)c3)C2)nc1.
What is the InChIKey of 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
The InChIKey is FVOONNFQQUCMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-3-13-10-20-18(21-11-13)26-14-5-4-8-22(12-14)27(23,24)15-6-7-17(25-2)16(19)9-15/h6-7,9-11,14H,3-5,8,12H2,1-2H3.
What are the key properties of 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine?
5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine has a molecular weight of 395.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122268447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).