1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one

C19H25FN2O4 — CID 70779039

IUPAC1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one
SMILESO=C(COCC1CCCCO1)N1CCN(Cc2ccccc2F)C(=O)C1
InChIInChI=1S/C19H25FN2O4/c20-17-7-2-1-5-15(17)11-21-8-9-22(12-18(21)23)19(24)14-25-13-16-6-3-4-10-26-16/h1-2,5,7,16H,3-4,6,8-14H2
InChIKeyJSBXVVUUPVORIM-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.58
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one

1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one (PubChem CID 70779039) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one
PubChem CID70779039
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one
SMILESO=C(COCC1CCCCO1)N1CCN(Cc2ccccc2F)C(=O)C1
InChIInChI=1S/C19H25FN2O4/c20-17-7-2-1-5-15(17)11-21-8-9-22(12-18(21)23)19(24)14-25-13-16-6-3-4-10-26-16/h1-2,5,7,16H,3-4,6,8-14H2
InChIKeyJSBXVVUUPVORIM-UHFFFAOYSA-N
XLogP1.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one (CID 70779039) is 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one is O=C(COCC1CCCCO1)N1CCN(Cc2ccccc2F)C(=O)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one?
The InChIKey is JSBXVVUUPVORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c20-17-7-2-1-5-15(17)11-21-8-9-22(12-18(21)23)19(24)14-25-13-16-6-3-4-10-26-16/h1-2,5,7,16H,3-4,6,8-14H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one?
1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one has a molecular weight of 364.42 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-2-one is sourced from PubChem (CID 70779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).