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

C16H23N3O2 — CID 61252118

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CCCN)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(20)14-4-6-15(7-5-14)18-9-11-19(12-10-18)16(21)3-2-8-17/h4-7H,2-3,8-12,17H2,1H3
InChIKeyGLLUPEXTNFYAEW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.28
Rot. Bonds5

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

1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one (PubChem CID 61252118) 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]-4-aminobutan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
PubChem CID61252118
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)CCCN)CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(20)14-4-6-15(7-5-14)18-9-11-19(12-10-18)16(21)3-2-8-17/h4-7H,2-3,8-12,17H2,1H3
InChIKeyGLLUPEXTNFYAEW-UHFFFAOYSA-N
XLogP1.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

4-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 75415581
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
3-(4-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027275
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one (CID 61252118) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one is CC(=O)c1ccc(N2CCN(C(=O)CCCN)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one?
The InChIKey is GLLUPEXTNFYAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)14-4-6-15(7-5-14)18-9-11-19(12-10-18)16(21)3-2-8-17/h4-7H,2-3,8-12,17H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one?
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.28, 5 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]-4-aminobutan-1-one is sourced from PubChem (CID 61252118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).