1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone

C18H20FN3O2 — CID 141044306

IUPAC1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccc(-c3ccccc3F)cn2)CC1
InChIInChI=1S/C18H20FN3O2/c1-24-13-18(23)22-10-8-21(9-11-22)17-7-6-14(12-20-17)15-4-2-3-5-16(15)19/h2-7,12H,8-11,13H2,1H3
InChIKeyYDYDLQHPFIBHBX-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.18
Rot. Bonds4

About 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 141044306) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID141044306
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccc(-c3ccccc3F)cn2)CC1
InChIInChI=1S/C18H20FN3O2/c1-24-13-18(23)22-10-8-21(9-11-22)17-7-6-14(12-20-17)15-4-2-3-5-16(15)19/h2-7,12H,8-11,13H2,1H3
InChIKeyYDYDLQHPFIBHBX-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloroethyl 4-[5-(2-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 141044300
2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate
CID 141044311
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
N-[2-(2-fluorophenyl)ethyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
CID 46084602
1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
CID 56816161
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343340
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126855116
6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 167796774

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone (CID 141044306) is 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2ccc(-c3ccccc3F)cn2)CC1.
What is the InChIKey of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is YDYDLQHPFIBHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-13-18(23)22-10-8-21(9-11-22)17-7-6-14(12-20-17)15-4-2-3-5-16(15)19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 329.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 141044306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).