2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

C18H18FN3O3 — CID 110818418

IUPAC2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H18FN3O3/c19-15-2-1-3-16(12-15)25-13-17(23)21-8-10-22(11-9-21)18(24)14-4-6-20-7-5-14/h1-7,12H,8-11,13H2
InChIKeyDVHZZXJSCKIAKN-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110818418) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID110818418
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H18FN3O3/c19-15-2-1-3-16(12-15)25-13-17(23)21-8-10-22(11-9-21)18(24)14-4-6-20-7-5-14/h1-7,12H,8-11,13H2
InChIKeyDVHZZXJSCKIAKN-UHFFFAOYSA-N
XLogP1.58
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
2-(3,4-dimethylphenoxy)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 32522055
[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 110603565
N-[[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-3-pyridin-4-ylpropanamide
CID 131890711
2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-nitrophenoxy)ethanone
CID 32521070
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
CID 154838081

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (CID 110818418) is 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is O=C(COc1cccc(F)c1)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DVHZZXJSCKIAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-15-2-1-3-16(12-15)25-13-17(23)21-8-10-22(11-9-21)18(24)14-4-6-20-7-5-14/h1-7,12H,8-11,13H2.
What are the key properties of 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 343.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110818418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).