4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one

C14H21N3O2 — CID 80735238

IUPAC4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one
SMILESCCOc1cc(N)cc(N2CCNC(=O)C2(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-4-19-12-8-10(15)7-11(9-12)17-6-5-16-13(18)14(17,2)3/h7-9H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyQAHORCJLQWJVMO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.38
Rot. Bonds3

About 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one

4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one (PubChem CID 80735238) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one
PubChem CID80735238
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one
SMILESCCOc1cc(N)cc(N2CCNC(=O)C2(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-4-19-12-8-10(15)7-11(9-12)17-6-5-16-13(18)14(17,2)3/h7-9H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyQAHORCJLQWJVMO-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one (CID 80735238) is 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one is CCOc1cc(N)cc(N2CCNC(=O)C2(C)C)c1.
What is the InChIKey of 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is QAHORCJLQWJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-19-12-8-10(15)7-11(9-12)17-6-5-16-13(18)14(17,2)3/h7-9H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one?
4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 80735238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).