2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride

C17H29Cl2N3O2 — CID 119892742

IUPAC2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCC(Nc2cccc(C)c2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14-4-3-5-16(12-14)19-15-6-9-20(10-7-15)17(21)13-18-8-11-22-2;;/h3-5,12,15,18-19H,6-11,13H2,1-2H3;2*1H
InChIKeyLMIDLPAZFPMHES-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.48
Rot. Bonds7

About 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride

2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 119892742) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
PubChem CID119892742
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
SMILESCOCCNCC(=O)N1CCC(Nc2cccc(C)c2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-14-4-3-5-16(12-14)19-15-6-9-20(10-7-15)17(21)13-18-8-11-22-2;;/h3-5,12,15,18-19H,6-11,13H2,1-2H3;2*1H
InChIKeyLMIDLPAZFPMHES-UHFFFAOYSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.48
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

2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
ethane;1-[4-(3-methylanilino)piperidin-1-yl]ethanone
CID 144655325
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
[4-(methoxymethyl)piperidin-4-yl]-[4-(3-methylanilino)piperidin-1-yl]methanone;dihydrochloride
CID 120647292
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
1-[4-(3-methylanilino)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119892708
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
2-(2-methoxyethylamino)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 119698293
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylanilino)piperidin-1-yl]butan-1-one
CID 119892713
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride (CID 119892742) is 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride is COCCNCC(=O)N1CCC(Nc2cccc(C)c2)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
The InChIKey is LMIDLPAZFPMHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-14-4-3-5-16(12-14)19-15-6-9-20(10-7-15)17(21)13-18-8-11-22-2;;/h3-5,12,15,18-19H,6-11,13H2,1-2H3;2*1H.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride?
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119892742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).