2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

C16H27Cl2N3O3 — CID 119829459

IUPAC2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(c2cccc(OC)c2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O3.2ClH/c1-21-11-6-17-13-16(20)19-9-7-18(8-10-19)14-4-3-5-15(12-14)22-2;;/h3-5,12,17H,6-11,13H2,1-2H3;2*1H
InChIKeyLKSCYIFKFHNFBB-UHFFFAOYSA-N
MW380.32 g/mol
LogP1.42
Rot. Bonds7

About 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride

2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119829459) has the molecular formula C16H27Cl2N3O3 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119829459
Molecular FormulaC16H27Cl2N3O3
Molecular Weight380.32 g/mol
Exact Mass379.14
IUPAC Name2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCN(c2cccc(OC)c2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O3.2ClH/c1-21-11-6-17-13-16(20)19-9-7-18(8-10-19)14-4-3-5-15(12-14)22-2;;/h3-5,12,17H,6-11,13H2,1-2H3;2*1H
InChIKeyLKSCYIFKFHNFBB-UHFFFAOYSA-N
XLogP1.42
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-2-oxobutanamide
CID 113097898
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
CID 119887348
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119829459) is 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is COCCNCC(=O)N1CCN(c2cccc(OC)c2)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is LKSCYIFKFHNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.2ClH/c1-21-11-6-17-13-16(20)19-9-7-18(8-10-19)14-4-3-5-15(12-14)22-2;;/h3-5,12,17H,6-11,13H2,1-2H3;2*1H.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119829459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).