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

C22H34N4O2 — CID 57442577

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H34N4O2/c1-4-18(2)24-13-15-26(16-14-24)22(28)17-23-9-11-25(12-10-23)21-7-5-20(6-8-21)19(3)27/h5-8,18H,4,9-17H2,1-3H3
InChIKeyVKVANYLBXIUIFK-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.95
Rot. Bonds6

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

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442577) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442577
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1
InChIInChI=1S/C22H34N4O2/c1-4-18(2)24-13-15-26(16-14-24)22(28)17-23-9-11-25(12-10-23)21-7-5-20(6-8-21)19(3)27/h5-8,18H,4,9-17H2,1-3H3
InChIKeyVKVANYLBXIUIFK-UHFFFAOYSA-N
XLogP1.95
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442914
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920
1-[4-[4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidin-1-yl]phenyl]ethanone
CID 58747950
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
2-[4-[4-acetyl-3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-hexan-2-ylpiperazin-1-yl)ethanone
CID 143404029

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone (CID 57442577) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone is CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(C(C)=O)cc3)CC2)CC1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VKVANYLBXIUIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-18(2)24-13-15-26(16-14-24)22(28)17-23-9-11-25(12-10-23)21-7-5-20(6-8-21)19(3)27/h5-8,18H,4,9-17H2,1-3H3.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 386.54 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).