1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone

C11H23N3O — CID 43367590

IUPAC1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
SMILESCCC(CCN)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H23N3O/c1-3-11(4-5-12)14-8-6-13(7-9-14)10(2)15/h11H,3-9,12H2,1-2H3
InChIKeyVNKNMUDJQGHPMJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds4

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

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone (PubChem CID 43367590) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
PubChem CID43367590
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
SMILESCCC(CCN)N1CCN(C(C)=O)CC1
InChIInChI=1S/C11H23N3O/c1-3-11(4-5-12)14-8-6-13(7-9-14)10(2)15/h11H,3-9,12H2,1-2H3
InChIKeyVNKNMUDJQGHPMJ-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
CID 43252483
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
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]propan-1-one
CID 43252178
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
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
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 115949134

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone (CID 43367590) is 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone is CCC(CCN)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone?
The InChIKey is VNKNMUDJQGHPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-11(4-5-12)14-8-6-13(7-9-14)10(2)15/h11H,3-9,12H2,1-2H3.
What are the key properties of 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone?
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone has a molecular weight of 213.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43367590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).