1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone

C12H21N3O2 — CID 60893848

IUPAC1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-10(16)14-6-8-15(9-7-14)11(17)12(13)4-2-3-5-12/h2-9,13H2,1H3
InChIKeyOFOLQYDJCHQTOV-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.05
Rot. Bonds1

About 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone

1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 60893848) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone
PubChem CID60893848
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-10(16)14-6-8-15(9-7-14)11(17)12(13)4-2-3-5-12/h2-9,13H2,1H3
InChIKeyOFOLQYDJCHQTOV-UHFFFAOYSA-N
XLogP-0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone (CID 60893848) is 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1.
What is the InChIKey of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is OFOLQYDJCHQTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(16)14-6-8-15(9-7-14)11(17)12(13)4-2-3-5-12/h2-9,13H2,1H3.
What are the key properties of 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone?
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 239.32 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60893848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).