[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

C23H27FN4O4 — CID 24733123

IUPAC[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1ccncc1)N1CCOCC1
InChIInChI=1S/C23H27FN4O4/c24-19-1-3-20(4-2-19)32-16-11-26-9-10-28(22(29)18-5-7-25-8-6-18)21(17-26)23(30)27-12-14-31-15-13-27/h1-8,21H,9-17H2
InChIKeyIZGWPKHUAGQWMC-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.28
Rot. Bonds6

About [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 24733123) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
PubChem CID24733123
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1ccncc1)N1CCOCC1
InChIInChI=1S/C23H27FN4O4/c24-19-1-3-20(4-2-19)32-16-11-26-9-10-28(22(29)18-5-7-25-8-6-18)21(17-26)23(30)27-12-14-31-15-13-27/h1-8,21H,9-17H2
InChIKeyIZGWPKHUAGQWMC-UHFFFAOYSA-N
XLogP1.28
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (CID 24733123) is [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(CCOc2ccc(F)cc2)CCN1C(=O)c1ccncc1)N1CCOCC1.
What is the InChIKey of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IZGWPKHUAGQWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c24-19-1-3-20(4-2-19)32-16-11-26-9-10-28(22(29)18-5-7-25-8-6-18)21(17-26)23(30)27-12-14-31-15-13-27/h1-8,21H,9-17H2.
What are the key properties of [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
[4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 442.49 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenoxy)ethyl]-1-(pyridine-4-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24733123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).