4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide

C17H24FN3O2 — CID 110605887

IUPAC4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
SMILESCN1CCN(C(=O)CNC(=O)CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-20-9-11-21(12-10-20)17(23)13-19-16(22)4-2-3-14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,19,22)
InChIKeyIMPUABHNMPDINO-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.04
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide

4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide (PubChem CID 110605887) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
PubChem CID110605887
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
SMILESCN1CCN(C(=O)CNC(=O)CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-20-9-11-21(12-10-20)17(23)13-19-16(22)4-2-3-14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,19,22)
InChIKeyIMPUABHNMPDINO-UHFFFAOYSA-N
XLogP1.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[5-(4-fluorophenyl)pentanoylamino]acetyl]piperazine-1-carboxylate
CID 110305627
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxobutanamide
CID 110615202
4-(4-fluorophenyl)-1-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]butan-1-one
CID 96579977
tert-butyl 4-[4-(4-fluorophenyl)butanoyl]piperazine-1-carboxylate
CID 110312062
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]butanamide
CID 87010279
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide
CID 110407023
N-[2-(azetidin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 60610713
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110308630

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide (CID 110605887) is 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide is CN1CCN(C(=O)CNC(=O)CCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide?
The InChIKey is IMPUABHNMPDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-20-9-11-21(12-10-20)17(23)13-19-16(22)4-2-3-14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,19,22).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide?
4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide has a molecular weight of 321.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]butanamide is sourced from PubChem (CID 110605887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).