1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone

C21H31FN4O — CID 126893118

IUPAC1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)C1
InChIInChI=1S/C21H31FN4O/c1-17(27)26-8-2-3-18(14-26)13-23-15-21(16-23)25-11-9-24(10-12-25)20-6-4-19(22)5-7-20/h4-7,18,21H,2-3,8-16H2,1H3
InChIKeyOHQYVLSHABBDBC-UHFFFAOYSA-N
MW374.50 g/mol
LogP1.89
Rot. Bonds4

About 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone

1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 126893118) has the molecular formula C21H31FN4O and a molecular weight of 374.50 g/mol. Its IUPAC name is 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID126893118
Molecular FormulaC21H31FN4O
Molecular Weight374.50 g/mol
Exact Mass374.25
IUPAC Name1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)C1
InChIInChI=1S/C21H31FN4O/c1-17(27)26-8-2-3-18(14-26)13-23-15-21(16-23)25-11-9-24(10-12-25)20-6-4-19(22)5-7-20/h4-7,18,21H,2-3,8-16H2,1H3
InChIKeyOHQYVLSHABBDBC-UHFFFAOYSA-N
XLogP1.89
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 95722350
1-[4-[[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92659526
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 45186042
2-[(3R,4S)-1-acetyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-yl]acetic acid
CID 25313352
[4-(dimethylamino)phenyl]-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288503
(2,4-dimethylphenyl)-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42513573
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone (CID 126893118) is 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN2CC(N3CCN(c4ccc(F)cc4)CC3)C2)C1.
What is the InChIKey of 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is OHQYVLSHABBDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O/c1-17(27)26-8-2-3-18(14-26)13-23-15-21(16-23)25-11-9-24(10-12-25)20-6-4-19(22)5-7-20/h4-7,18,21H,2-3,8-16H2,1H3.
What are the key properties of 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 374.50 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126893118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).