4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

C12H24N2O2 — CID 75374977

IUPAC4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCOCCN1CC(=O)N(C(C)C)C(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-11(15)8-13(6-7-16-5)9-12(14,3)4/h10H,6-9H2,1-5H3
InChIKeyFEERCUJEIWGXRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds4

About 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one

4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (PubChem CID 75374977) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
PubChem CID75374977
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
SMILESCOCCN1CC(=O)N(C(C)C)C(C)(C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-11(15)8-13(6-7-16-5)9-12(14,3)4/h10H,6-9H2,1-5H3
InChIKeyFEERCUJEIWGXRF-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one (CID 75374977) is 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is COCCN1CC(=O)N(C(C)C)C(C)(C)C1.
What is the InChIKey of 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
The InChIKey is FEERCUJEIWGXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14-11(15)8-13(6-7-16-5)9-12(14,3)4/h10H,6-9H2,1-5H3.
What are the key properties of 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one?
4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 75374977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).