1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one

C16H23N3O2 — CID 61252307

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
SMILESCCC(N)C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-15(17)16(21)19-10-8-18(9-11-19)14-6-4-13(5-7-14)12(2)20/h4-7,15H,3,8-11,17H2,1-2H3
InChIKeyNABAQWCZPUNSBS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.28
Rot. Bonds4

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one (PubChem CID 61252307) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
PubChem CID61252307
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one
SMILESCCC(N)C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-15(17)16(21)19-10-8-18(9-11-19)14-6-4-13(5-7-14)12(2)20/h4-7,15H,3,8-11,17H2,1-2H3
InChIKeyNABAQWCZPUNSBS-UHFFFAOYSA-N
XLogP1.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one
CID 54868660
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
(2S)-2-amino-1-[4-(2-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75494290
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
1-[4-(4-acetylphenyl)piperazin-1-yl]prop-2-en-1-one;2-methylpropane
CID 161095625
[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475476
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one (CID 61252307) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one is CCC(N)C(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one?
The InChIKey is NABAQWCZPUNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-15(17)16(21)19-10-8-18(9-11-19)14-6-4-13(5-7-14)12(2)20/h4-7,15H,3,8-11,17H2,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-aminobutan-1-one is sourced from PubChem (CID 61252307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).