5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one

C20H25FN4O — CID 126893048

IUPAC5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)ccc1=O
InChIInChI=1S/C20H25FN4O/c1-22-12-16(2-7-20(22)26)13-23-14-19(15-23)25-10-8-24(9-11-25)18-5-3-17(21)4-6-18/h2-7,12,19H,8-11,13-15H2,1H3
InChIKeyFVOMCGKBDYGMQZ-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.53
Rot. Bonds4

About 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one

5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 126893048) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID126893048
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1cc(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)ccc1=O
InChIInChI=1S/C20H25FN4O/c1-22-12-16(2-7-20(22)26)13-23-14-19(15-23)25-10-8-24(9-11-25)18-5-3-17(21)4-6-18/h2-7,12,19H,8-11,13-15H2,1H3
InChIKeyFVOMCGKBDYGMQZ-UHFFFAOYSA-N
XLogP1.53
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 126893230
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126893053
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
4-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]ethyl]-1,4-oxazepane
CID 126893121
7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163059698
5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 126893083
1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126893118
1-[4-[[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92659526
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one (CID 126893048) is 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1cc(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)ccc1=O.
What is the InChIKey of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is FVOMCGKBDYGMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-22-12-16(2-7-20(22)26)13-23-14-19(15-23)25-10-8-24(9-11-25)18-5-3-17(21)4-6-18/h2-7,12,19H,8-11,13-15H2,1H3.
What are the key properties of 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one?
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 356.44 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 126893048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).