4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one

C19H23FN2O2 — CID 138378268

IUPAC4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCOc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-21-8-5-16(12-19(21)23)15-6-9-22(10-7-15)13-14-3-4-18(24-2)17(20)11-14/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3
InChIKeyAQFFANUCBXEGHL-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.91
Rot. Bonds4

About 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one

4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one (PubChem CID 138378268) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
PubChem CID138378268
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
SMILESCOc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-21-8-5-16(12-19(21)23)15-6-9-22(10-7-15)13-14-3-4-18(24-2)17(20)11-14/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3
InChIKeyAQFFANUCBXEGHL-UHFFFAOYSA-N
XLogP2.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384179
1-methyl-4-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138386123
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70765614
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one (CID 138378268) is 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one is COc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc1F.
What is the InChIKey of 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is AQFFANUCBXEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-21-8-5-16(12-19(21)23)15-6-9-22(10-7-15)13-14-3-4-18(24-2)17(20)11-14/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3.
What are the key properties of 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one?
4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 330.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 138378268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).