1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one

C20H21FN2O3 — CID 70715078

IUPAC1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one
SMILESO=C(COCc1ccccc1)N1CCN(Cc2ccccc2F)C(=O)C1
InChIInChI=1S/C20H21FN2O3/c21-18-9-5-4-8-17(18)12-22-10-11-23(13-19(22)24)20(25)15-26-14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyWHOWCBORCOCMOT-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.21
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one (PubChem CID 70715078) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one
PubChem CID70715078
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one
SMILESO=C(COCc1ccccc1)N1CCN(Cc2ccccc2F)C(=O)C1
InChIInChI=1S/C20H21FN2O3/c21-18-9-5-4-8-17(18)12-22-10-11-23(13-19(22)24)20(25)15-26-14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyWHOWCBORCOCMOT-UHFFFAOYSA-N
XLogP2.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one (CID 70715078) is 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one is O=C(COCc1ccccc1)N1CCN(Cc2ccccc2F)C(=O)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The InChIKey is WHOWCBORCOCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-18-9-5-4-8-17(18)12-22-10-11-23(13-19(22)24)20(25)15-26-14-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(2-phenylmethoxyacetyl)piperazin-2-one is sourced from PubChem (CID 70715078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).