5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one

C21H25FN2O3 — CID 16852802

IUPAC5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one
SMILESCc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C21H25FN2O3/c1-15-7-9-23(10-8-15)21(26)13-24-12-20(19(25)11-16(24)2)27-14-17-3-5-18(22)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3
InChIKeyXYHOYXZBQGEQQI-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.13
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one

5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one (PubChem CID 16852802) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one
PubChem CID16852802
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one
SMILESCc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C21H25FN2O3/c1-15-7-9-23(10-8-15)21(26)13-24-12-20(19(25)11-16(24)2)27-14-17-3-5-18(22)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3
InChIKeyXYHOYXZBQGEQQI-UHFFFAOYSA-N
XLogP3.13
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one (CID 16852802) is 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one is Cc1cc(=O)c(OCc2ccc(F)cc2)cn1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one?
The InChIKey is XYHOYXZBQGEQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15-7-9-23(10-8-15)21(26)13-24-12-20(19(25)11-16(24)2)27-14-17-3-5-18(22)6-4-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one?
5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one has a molecular weight of 372.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-4-one is sourced from PubChem (CID 16852802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).