4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one

C14H21N3O2 — CID 63601447

IUPAC4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1ccc(OC)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-3-12-14(18)16-6-7-17(12)9-10-4-5-13(19-2)11(15)8-10/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyVAGCJYQJLJSEHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds4

About 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one

4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one (PubChem CID 63601447) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one
PubChem CID63601447
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1ccc(OC)c(N)c1
InChIInChI=1S/C14H21N3O2/c1-3-12-14(18)16-6-7-17(12)9-10-4-5-13(19-2)11(15)8-10/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyVAGCJYQJLJSEHY-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-4-hydroxyphenyl)methyl]-3-ethylpiperazin-2-one
CID 63602866
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764
4-[[2-(aminomethyl)-4-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63888466
3-ethyl-4-[[4-[(4-fluoro-3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one
CID 45165996
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
3-ethyl-4-[[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-2-one
CID 118754070
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
2-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848345
2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 95723144
2-methoxy-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 106788878
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one (CID 63601447) is 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1Cc1ccc(OC)c(N)c1.
What is the InChIKey of 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one?
The InChIKey is VAGCJYQJLJSEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-12-14(18)16-6-7-17(12)9-10-4-5-13(19-2)11(15)8-10/h4-5,8,12H,3,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one?
4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxyphenyl)methyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63601447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).