1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one

C12H23N3O3 — CID 81082869

IUPAC1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-10(16)14-5-7-15(8-6-14)12(17)11(13)4-3-9-18-2/h11H,3-9,13H2,1-2H3
InChIKeyGLWSTQGAWXIVBL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.57
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one

1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one (PubChem CID 81082869) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
PubChem CID81082869
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
SMILESCOCCCC(N)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-10(16)14-5-7-15(8-6-14)12(17)11(13)4-3-9-18-2/h11H,3-9,13H2,1-2H3
InChIKeyGLWSTQGAWXIVBL-UHFFFAOYSA-N
XLogP-0.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
methyl 2-[4-(2-amino-5-methoxypentanoyl)piperazin-1-yl]acetate
CID 81088055
2-amino-5-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 81088625
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one (CID 81082869) is 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one is COCCCC(N)C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one?
The InChIKey is GLWSTQGAWXIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(16)14-5-7-15(8-6-14)12(17)11(13)4-3-9-18-2/h11H,3-9,13H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one?
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one has a molecular weight of 257.33 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one is sourced from PubChem (CID 81082869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).