4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one

C11H19N3O2 — CID 64851070

IUPAC4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)C2CCCC2N)CC1=O
InChIInChI=1S/C11H19N3O2/c1-13-5-6-14(7-10(13)15)11(16)8-3-2-4-9(8)12/h8-9H,2-7,12H2,1H3
InChIKeyMIEDIQXHTCGHFC-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.59
Rot. Bonds1

About 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one

4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one (PubChem CID 64851070) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
PubChem CID64851070
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)C2CCCC2N)CC1=O
InChIInChI=1S/C11H19N3O2/c1-13-5-6-14(7-10(13)15)11(16)8-3-2-4-9(8)12/h8-9H,2-7,12H2,1H3
InChIKeyMIEDIQXHTCGHFC-UHFFFAOYSA-N
XLogP-0.59
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one (CID 64851070) is 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)C2CCCC2N)CC1=O.
What is the InChIKey of 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one?
The InChIKey is MIEDIQXHTCGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-13-5-6-14(7-10(13)15)11(16)8-3-2-4-9(8)12/h8-9H,2-7,12H2,1H3.
What are the key properties of 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one?
4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentanecarbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64851070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).