4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one

C19H21FN2O3 — CID 119072779

IUPAC4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(F)c(CN2CCN(c3ccccc3OC)C(=O)C2)c1
InChIInChI=1S/C19H21FN2O3/c1-24-15-7-8-16(20)14(11-15)12-21-9-10-22(19(23)13-21)17-5-3-4-6-18(17)25-2/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyPXAZIDQSOUBVAD-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.69
Rot. Bonds5

About 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one

4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 119072779) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID119072779
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(F)c(CN2CCN(c3ccccc3OC)C(=O)C2)c1
InChIInChI=1S/C19H21FN2O3/c1-24-15-7-8-16(20)14(11-15)12-21-9-10-22(19(23)13-21)17-5-3-4-6-18(17)25-2/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyPXAZIDQSOUBVAD-UHFFFAOYSA-N
XLogP2.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
1-(cyclopentylmethyl)-4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-2-one
CID 167946863
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 10151959
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-amino-6-[(2-fluoro-5-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917853
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864567
2-(2,4-dimethoxyphenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 31114132
3-tert-butyl-7-[(2-fluoro-5-methoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 138034518
[5-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90648502
4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 126434003
1-[(2-fluoro-5-methoxyphenyl)methyl]-4-(1-methylpiperidin-4-yl)piperidine
CID 56914097

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one (CID 119072779) is 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccc(F)c(CN2CCN(c3ccccc3OC)C(=O)C2)c1.
What is the InChIKey of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is PXAZIDQSOUBVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-15-7-8-16(20)14(11-15)12-21-9-10-22(19(23)13-21)17-5-3-4-6-18(17)25-2/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one?
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 119072779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).