1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone

C15H29N3O2 — CID 95331832

IUPAC1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
SMILESCCOCCN1CCN(CC(=O)N2CCC2)C[C@@H]1CC
InChIInChI=1S/C15H29N3O2/c1-3-14-12-16(13-15(19)18-6-5-7-18)8-9-17(14)10-11-20-4-2/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyJNHZIXXHJMKTKZ-AWEZNQCLSA-N
MW283.42 g/mol
LogP0.65
Rot. Bonds7

About 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone

1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone (PubChem CID 95331832) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
PubChem CID95331832
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
SMILESCCOCCN1CCN(CC(=O)N2CCC2)C[C@@H]1CC
InChIInChI=1S/C15H29N3O2/c1-3-14-12-16(13-15(19)18-6-5-7-18)8-9-17(14)10-11-20-4-2/h14H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyJNHZIXXHJMKTKZ-AWEZNQCLSA-N
XLogP0.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
2-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86895046
1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95332942
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-(2-methylsulfonylethyl)piperazine
CID 95317636
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704580
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 119880418
(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95350413
1-(4-benzylpiperazin-1-yl)-2-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 86895019
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone;dihydrochloride
CID 119880457
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone (CID 95331832) is 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone is CCOCCN1CCN(CC(=O)N2CCC2)C[C@@H]1CC.
What is the InChIKey of 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
The InChIKey is JNHZIXXHJMKTKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-14-12-16(13-15(19)18-6-5-7-18)8-9-17(14)10-11-20-4-2/h14H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone has a molecular weight of 283.42 g/mol, XLogP of 0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 95331832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).