N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide

C17H26FN3O — CID 109002192

IUPACN-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O/c1-3-4-9-19(2)17(22)14-20-10-12-21(13-11-20)16-7-5-15(18)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyZAZPXTBKTIFAIO-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.21
Rot. Bonds6

About N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide

N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 109002192) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
PubChem CID109002192
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC NameN-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O/c1-3-4-9-19(2)17(22)14-20-10-12-21(13-11-20)16-7-5-15(18)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyZAZPXTBKTIFAIO-UHFFFAOYSA-N
XLogP2.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 87015631
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46820487
1-[4-(4-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4083768
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55409523
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 87012516
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,2-dimethylguanidine;hydroiodide
CID 111158514
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026004
N-butyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 129494486
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide (CID 109002192) is N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide is CCCCN(C)C(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is ZAZPXTBKTIFAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-3-4-9-19(2)17(22)14-20-10-12-21(13-11-20)16-7-5-15(18)6-8-16/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide?
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 307.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 109002192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).