1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

C19H25FN2O3 — CID 110611235

IUPAC1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CN1CCN(C(=O)CC2CCCCO2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O3/c20-16-6-4-15(5-7-16)18(23)14-21-8-10-22(11-9-21)19(24)13-17-3-1-2-12-25-17/h4-7,17H,1-3,8-14H2
InChIKeyLHSLIYNKXOSJFL-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.11
Rot. Bonds5

About 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone

1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 110611235) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID110611235
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
SMILESO=C(CN1CCN(C(=O)CC2CCCCO2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O3/c20-16-6-4-15(5-7-16)18(23)14-21-8-10-22(11-9-21)19(24)13-17-3-1-2-12-25-17/h4-7,17H,1-3,8-14H2
InChIKeyLHSLIYNKXOSJFL-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-(4-fluorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073470
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110629424
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
CID 8719224
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358987
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
2-[2-(oxan-2-yl)acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997329
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608462
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone (CID 110611235) is 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is O=C(CN1CCN(C(=O)CC2CCCCO2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is LHSLIYNKXOSJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-6-4-15(5-7-16)18(23)14-21-8-10-22(11-9-21)19(24)13-17-3-1-2-12-25-17/h4-7,17H,1-3,8-14H2.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 348.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 110611235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).