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

C10H19N3O — CID 67034947

IUPAC1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC(N)C2)CC1
InChIInChI=1S/C10H19N3O/c1-8(14)12-2-4-13(5-3-12)10-6-9(11)7-10/h9-10H,2-7,11H2,1H3
InChIKeyYOZJAEULIFWWNV-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.36
Rot. Bonds1

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

1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone (PubChem CID 67034947) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone
PubChem CID67034947
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CC(N)C2)CC1
InChIInChI=1S/C10H19N3O/c1-8(14)12-2-4-13(5-3-12)10-6-9(11)7-10/h9-10H,2-7,11H2,1H3
InChIKeyYOZJAEULIFWWNV-UHFFFAOYSA-N
XLogP-0.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone (CID 67034947) is 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CC(N)C2)CC1.
What is the InChIKey of 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone?
The InChIKey is YOZJAEULIFWWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(14)12-2-4-13(5-3-12)10-6-9(11)7-10/h9-10H,2-7,11H2,1H3.
What are the key properties of 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone?
1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminocyclobutyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 67034947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).