3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one

C16H25N3O2 — CID 63602572

IUPAC3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccccc1CNCCOC
InChIInChI=1S/C16H25N3O2/c1-3-14-16(20)18-8-10-19(14)15-7-5-4-6-13(15)12-17-9-11-21-2/h4-7,14,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyQBRSOXOSGWITOA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.14
Rot. Bonds7

About 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one

3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one (PubChem CID 63602572) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
PubChem CID63602572
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1c1ccccc1CNCCOC
InChIInChI=1S/C16H25N3O2/c1-3-14-16(20)18-8-10-19(14)15-7-5-4-6-13(15)12-17-9-11-21-2/h4-7,14,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyQBRSOXOSGWITOA-UHFFFAOYSA-N
XLogP1.14
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[2-(propylaminomethyl)phenyl]piperazin-2-one
CID 63606315
4-[5-chloro-2-(propylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851215
4-(2-amino-3-pyridinyl)-3-ethylpiperazin-2-one
CID 104540385
4-[2-(1-aminoethyl)phenyl]-3-ethylpiperazin-2-one
CID 63601313
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
4-[2-(1-aminopropyl)phenyl]-3-ethylpiperazin-2-one
CID 112678134
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059153
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
4-[4-chloro-2-(methylaminomethyl)phenyl]-3-ethylpiperazin-2-one
CID 114851218
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
CID 83098525
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058738
2-(2-ethyl-3-oxopiperazin-1-yl)-5-fluorobenzaldehyde
CID 55217306

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one (CID 63602572) is 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one is CCC1C(=O)NCCN1c1ccccc1CNCCOC.
What is the InChIKey of 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one?
The InChIKey is QBRSOXOSGWITOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-14-16(20)18-8-10-19(14)15-7-5-4-6-13(15)12-17-9-11-21-2/h4-7,14,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one?
3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-2-one is sourced from PubChem (CID 63602572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).