1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone

C14H18FN3O2 — CID 119710242

IUPAC1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-16-10-13(19)17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyONMQLAPSXZNHQF-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.33
Rot. Bonds3

About 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone (PubChem CID 119710242) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
PubChem CID119710242
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O2/c1-16-10-13(19)17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyONMQLAPSXZNHQF-UHFFFAOYSA-N
XLogP0.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)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

1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
3-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282235
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32523207
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
N-[3-acetamido-5-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 30855230
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110802364
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone (CID 119710242) is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
The InChIKey is ONMQLAPSXZNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-16-10-13(19)17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone?
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone has a molecular weight of 279.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 119710242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).