1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride

C9H18ClN3O2 — CID 2756284

IUPAC1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride
SMILESCC(=O)N1CCN(C(=O)CCN)CC1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10;/h2-7,10H2,1H3;1H
InChIKeyXVBIHUFEURWNQS-UHFFFAOYSA-N
MW235.71 g/mol
LogP-0.55
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride

1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride (PubChem CID 2756284) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride
PubChem CID2756284
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride
SMILESCC(=O)N1CCN(C(=O)CCN)CC1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10;/h2-7,10H2,1H3;1H
InChIKeyXVBIHUFEURWNQS-UHFFFAOYSA-N
XLogP-0.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
N-{2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl}-2,2-dimethylpropanamide
CID 832086
1-(Piperazin-1-yl)butan-1-one
CID 10749434
3-Amino-1-piperazin-1-yl-propan-1-one
CID 2756536
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
3-(4-Methylpiperazin-1-YL)propanamide
CID 21640994
3-Amino-1-(4-methylpiperazin-1-yl)propan-1-one--hydrogen chloride (1/2)
CID 2756501
3-Amino-1-(4-methylpiperazin-1-yl)propan-1-one
CID 2756502
1-(2,2-Dimethylpropanoyl)piperazine
CID 2761408
1-(Piperazin-1-yl)propan-1-one hydrochloride
CID 13017829
2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride
CID 16248995
1-(4-(3-Aminopropyl)piperazin-1-yl)ethanone
CID 16792591

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride (CID 2756284) is 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride is CC(=O)N1CCN(C(=O)CCN)CC1.Cl.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride?
The InChIKey is XVBIHUFEURWNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10;/h2-7,10H2,1H3;1H.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride?
1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride is sourced from PubChem (CID 2756284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).