1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one

C18H18FN3O2 — CID 90649312

IUPAC1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
SMILESO=C(Cc1ccncc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C18H18FN3O2/c19-16-3-1-15(2-4-16)12-21-9-10-22(13-18(21)24)17(23)11-14-5-7-20-8-6-14/h1-8H,9-13H2
InChIKeyCANGTQLPAQZMGE-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.63
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one

1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one (PubChem CID 90649312) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
PubChem CID90649312
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
SMILESO=C(Cc1ccncc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1
InChIInChI=1S/C18H18FN3O2/c19-16-3-1-15(2-4-16)12-21-9-10-22(13-18(21)24)17(23)11-14-5-7-20-8-6-14/h1-8H,9-13H2
InChIKeyCANGTQLPAQZMGE-UHFFFAOYSA-N
XLogP1.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-9-(2-pyridin-4-ylacetyl)-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
CID 154579884
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110708991
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 166358962
4-[2-(5-amino-3-methylpyrazol-1-yl)acetyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 86286910
tert-butyl 3-oxo-4-(pyridin-4-ylmethyl)piperazine-1-carboxylate
CID 71304664
1-[(4-methylphenyl)methyl]-4-[2-(2,3,4-trifluorophenyl)acetyl]piperazin-2-one
CID 70733594
4-[2-(ethylamino)pyrimidine-5-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 56743160
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[(4-fluorophenyl)methyl]-4-[3-[(2S)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97197113
1-[(4-fluorophenyl)methyl]-4-[3-[(2R)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]propanoyl]piperazin-2-one
CID 42163297
4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 119330503

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one (CID 90649312) is 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one is O=C(Cc1ccncc1)N1CCN(Cc2ccc(F)cc2)C(=O)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one?
The InChIKey is CANGTQLPAQZMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-16-3-1-15(2-4-16)12-21-9-10-22(13-18(21)24)17(23)11-14-5-7-20-8-6-14/h1-8H,9-13H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one?
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one has a molecular weight of 327.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one is sourced from PubChem (CID 90649312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).