2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one

C20H24FN3O2 — CID 46971472

IUPAC2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1cccnc1CN1CCN(C(=O)C(C)Oc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O2/c1-15-6-5-9-22-18(15)14-23-10-12-24(13-11-23)20(25)16(2)26-19-8-4-3-7-17(19)21/h3-9,16H,10-14H2,1-2H3
InChIKeyWMWJJOJRFYQDJK-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one

2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 46971472) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID46971472
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one
SMILESCc1cccnc1CN1CCN(C(=O)C(C)Oc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O2/c1-15-6-5-9-22-18(15)14-23-10-12-24(13-11-23)20(25)16(2)26-19-8-4-3-7-17(19)21/h3-9,16H,10-14H2,1-2H3
InChIKeyWMWJJOJRFYQDJK-UHFFFAOYSA-N
XLogP2.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one (CID 46971472) is 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one is Cc1cccnc1CN1CCN(C(=O)C(C)Oc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is WMWJJOJRFYQDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-6-5-9-22-18(15)14-23-10-12-24(13-11-23)20(25)16(2)26-19-8-4-3-7-17(19)21/h3-9,16H,10-14H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one?
2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 357.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46971472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).