(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one

C9H18N2O3 — CID 88585322

IUPAC(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one
SMILESCCOOCCN1CCC[C@@H](N)C1=O
InChIInChI=1S/C9H18N2O3/c1-2-13-14-7-6-11-5-3-4-8(10)9(11)12/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyNIVZCCWYKRAPRB-MRVPVSSYSA-N
MW202.25 g/mol
LogP-0.10
Rot. Bonds5

About (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one

(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one (PubChem CID 88585322) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one
PubChem CID88585322
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one
SMILESCCOOCCN1CCC[C@@H](N)C1=O
InChIInChI=1S/C9H18N2O3/c1-2-13-14-7-6-11-5-3-4-8(10)9(11)12/h8H,2-7,10H2,1H3/t8-/m1/s1
InChIKeyNIVZCCWYKRAPRB-MRVPVSSYSA-N
XLogP-0.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one?
The IUPAC name of (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one (CID 88585322) is (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one is CCOOCCN1CCC[C@@H](N)C1=O.
What is the InChIKey of (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one?
The InChIKey is NIVZCCWYKRAPRB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-13-14-7-6-11-5-3-4-8(10)9(11)12/h8H,2-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one?
(3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one has a molecular weight of 202.25 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2-ethylperoxyethyl)piperidin-2-one is sourced from PubChem (CID 88585322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).