1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone

C12H25N3O2 — CID 61277957

IUPAC1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCCC(CCN)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C12H25N3O2/c1-3-11(4-5-13)14-6-8-15(9-7-14)12(16)10-17-2/h11H,3-10,13H2,1-2H3
InChIKeyWBMYDJVXTDFOGL-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.10
Rot. Bonds6

About 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 61277957) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID61277957
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCCC(CCN)N1CCN(C(=O)COC)CC1
InChIInChI=1S/C12H25N3O2/c1-3-11(4-5-13)14-6-8-15(9-7-14)12(16)10-17-2/h11H,3-10,13H2,1-2H3
InChIKeyWBMYDJVXTDFOGL-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 115949134
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 43252176
tert-butyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate
CID 43252186
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
2-(aminomethyl)-1-[4-(2-methoxyacetyl)piperazin-1-yl]pentan-1-one
CID 65227640

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone (CID 61277957) is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone is CCC(CCN)N1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is WBMYDJVXTDFOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-11(4-5-13)14-6-8-15(9-7-14)12(16)10-17-2/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 243.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 61277957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).