(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one

C11H22N2O — CID 168820502

IUPAC(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
SMILESCCN1C[C@@H](C)N(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O/c1-6-12-7-9(2)13(8-10(12)14)11(3,4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyOQWIFEFRYOWMDM-SECBINFHSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds1

About (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one

(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one (PubChem CID 168820502) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
PubChem CID168820502
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one
SMILESCCN1C[C@@H](C)N(C(C)(C)C)CC1=O
InChIInChI=1S/C11H22N2O/c1-6-12-7-9(2)13(8-10(12)14)11(3,4)5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyOQWIFEFRYOWMDM-SECBINFHSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one?
The IUPAC name of (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one (CID 168820502) is (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one.
What is the SMILES notation for (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one?
The canonical SMILES for (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one is CCN1C[C@@H](C)N(C(C)(C)C)CC1=O.
What is the InChIKey of (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one?
The InChIKey is OQWIFEFRYOWMDM-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6-12-7-9(2)13(8-10(12)14)11(3,4)5/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one?
(5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-tert-butyl-1-ethyl-5-methylpiperazin-2-one is sourced from PubChem (CID 168820502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).