[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone

C12H23N3O — CID 43251850

IUPAC[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNCCCCN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H23N3O/c13-5-1-2-6-14-7-9-15(10-8-14)12(16)11-3-4-11/h11H,1-10,13H2
InChIKeyJUFPLWGSDVVTES-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.28
Rot. Bonds5

About [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone

[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 43251850) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID43251850
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNCCCCN1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H23N3O/c13-5-1-2-6-14-7-9-15(10-8-14)12(16)11-3-4-11/h11H,1-10,13H2
InChIKeyJUFPLWGSDVVTES-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclopropylcarbonyl)piperazine
CID 2064235
1-Cyclopropanecarbonylpiperidin-4-amine
CID 3163331
1-(Piperazin-1-yl)butan-1-one
CID 10749434
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
Cyclopropyl(4-ethylpiperazin-1-yl)methanone
CID 5151632
4-Amino-1-[4-(4-aminobutanoyl)piperazin-1-yl]butan-1-one
CID 10777491
1-(Cyclopropylcarbonyl)piperidin-3-amine
CID 25219399
2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride
CID 16248995
1-(Cyclopropylcarbonyl)piperazine Hydrochloride
CID 20847955
3-Methyl-1-(piperazin-1-yl)butan-1-one hydrochloride
CID 45791423
4-(Cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 16863813
1-(3-Methylbutanoyl)piperazine
CID 3862879

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone (CID 43251850) is [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone is NCCCCN1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is JUFPLWGSDVVTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-5-1-2-6-14-7-9-15(10-8-14)12(16)11-3-4-11/h11H,1-10,13H2.
What are the key properties of [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 225.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 43251850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).