4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one

C11H21N3O2 — CID 63607222

IUPAC4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCCNCCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-4-12-6-5-9(15)14-8-7-13-10(16)11(14,2)3/h12H,4-8H2,1-3H3,(H,13,16)
InChIKeyWTCSGFLIESVGTC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.28
Rot. Bonds4

About 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one

4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63607222) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
PubChem CID63607222
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
SMILESCCNCCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H21N3O2/c1-4-12-6-5-9(15)14-8-7-13-10(16)11(14,2)3/h12H,4-8H2,1-3H3,(H,13,16)
InChIKeyWTCSGFLIESVGTC-UHFFFAOYSA-N
XLogP-0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one (CID 63607222) is 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one is CCNCCC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is WTCSGFLIESVGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-12-6-5-9(15)14-8-7-13-10(16)11(14,2)3/h12H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one?
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).