1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone

C20H30F2N4O — CID 57442920

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C20H30F2N4O/c1-3-16(2)24-10-12-26(13-11-24)20(27)15-23-6-8-25(9-7-23)19-5-4-17(21)14-18(19)22/h4-5,14,16H,3,6-13,15H2,1-2H3
InChIKeyKJODMFWEGIPRTO-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.03
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone (PubChem CID 57442920) has the molecular formula C20H30F2N4O and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
PubChem CID57442920
Molecular FormulaC20H30F2N4O
Molecular Weight380.48 g/mol
Exact Mass380.24
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C20H30F2N4O/c1-3-16(2)24-10-12-26(13-11-24)20(27)15-23-6-8-25(9-7-23)19-5-4-17(21)14-18(19)22/h4-5,14,16H,3,6-13,15H2,1-2H3
InChIKeyKJODMFWEGIPRTO-UHFFFAOYSA-N
XLogP2.03
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 165432101
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 143404087
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
[2-(4-butan-2-ylpiperazin-1-yl)-5-fluorophenyl]methanol
CID 62774818
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442914
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone (CID 57442920) is 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone is CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is KJODMFWEGIPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N4O/c1-3-16(2)24-10-12-26(13-11-24)20(27)15-23-6-8-25(9-7-23)19-5-4-17(21)14-18(19)22/h4-5,14,16H,3,6-13,15H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 380.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57442920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).