2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride

C19H33Cl2N3O3 — CID 119849351

IUPAC2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCC(c1ccccc1OC)N1CCCCC1.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-24-13-10-20-15-19(23)21-14-17(22-11-6-3-7-12-22)16-8-4-5-9-18(16)25-2;;/h4-5,8-9,17,20H,3,6-7,10-15H2,1-2H3,(H,21,23);2*1H
InChIKeyASWCJKQJYSWYSI-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.42
Rot. Bonds10

About 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride (PubChem CID 119849351) has the molecular formula C19H33Cl2N3O3 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
PubChem CID119849351
Molecular FormulaC19H33Cl2N3O3
Molecular Weight422.40 g/mol
Exact Mass421.19
IUPAC Name2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCC(c1ccccc1OC)N1CCCCC1.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-24-13-10-20-15-19(23)21-14-17(22-11-6-3-7-12-22)16-8-4-5-9-18(16)25-2;;/h4-5,8-9,17,20H,3,6-7,10-15H2,1-2H3,(H,21,23);2*1H
InChIKeyASWCJKQJYSWYSI-UHFFFAOYSA-N
XLogP2.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide;dihydrochloride
CID 119946536
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849343
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 51966942
2-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51926822
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride (CID 119849351) is 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride is COCCNCC(=O)NCC(c1ccccc1OC)N1CCCCC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride?
The InChIKey is ASWCJKQJYSWYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.2ClH/c1-24-13-10-20-15-19(23)21-14-17(22-11-6-3-7-12-22)16-8-4-5-9-18(16)25-2;;/h4-5,8-9,17,20H,3,6-7,10-15H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride has a molecular weight of 422.40 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119849351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).