[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone

C18H26FN3O3 — CID 119888933

IUPAC[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C2(OC)CCNCC2)CC1
InChIInChI=1S/C18H26FN3O3/c1-24-16-13-14(19)3-4-15(16)21-9-11-22(12-10-21)17(23)18(25-2)5-7-20-8-6-18/h3-4,13,20H,5-12H2,1-2H3
InChIKeyVXFYFYRWIIVDHK-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.25
Rot. Bonds4

About [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone

[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone (PubChem CID 119888933) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
PubChem CID119888933
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
SMILESCOc1cc(F)ccc1N1CCN(C(=O)C2(OC)CCNCC2)CC1
InChIInChI=1S/C18H26FN3O3/c1-24-16-13-14(19)3-4-15(16)21-9-11-22(12-10-21)17(23)18(25-2)5-7-20-8-6-18/h3-4,13,20H,5-12H2,1-2H3
InChIKeyVXFYFYRWIIVDHK-UHFFFAOYSA-N
XLogP1.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone (CID 119888933) is [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone is COc1cc(F)ccc1N1CCN(C(=O)C2(OC)CCNCC2)CC1.
What is the InChIKey of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is VXFYFYRWIIVDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-24-16-13-14(19)3-4-15(16)21-9-11-22(12-10-21)17(23)18(25-2)5-7-20-8-6-18/h3-4,13,20H,5-12H2,1-2H3.
What are the key properties of [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone?
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 351.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 119888933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).