2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride

C16H35Cl2N3O2 — CID 119898912

IUPAC2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCC1CCN(CCC(C)C)CC1.Cl.Cl
InChIInChI=1S/C16H33N3O2.2ClH/c1-14(2)4-8-19-9-5-15(6-10-19)12-18-16(20)13-17-7-11-21-3;;/h14-15,17H,4-13H2,1-3H3,(H,18,20);2*1H
InChIKeyDPBASCJKGAYJBV-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.94
Rot. Bonds10

About 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride

2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride (PubChem CID 119898912) has the molecular formula C16H35Cl2N3O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
PubChem CID119898912
Molecular FormulaC16H35Cl2N3O2
Molecular Weight372.38 g/mol
Exact Mass371.21
IUPAC Name2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCOCCNCC(=O)NCC1CCN(CCC(C)C)CC1.Cl.Cl
InChIInChI=1S/C16H33N3O2.2ClH/c1-14(2)4-8-19-9-5-15(6-10-19)12-18-16(20)13-17-7-11-21-3;;/h14-15,17H,4-13H2,1-3H3,(H,18,20);2*1H
InChIKeyDPBASCJKGAYJBV-UHFFFAOYSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.94
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

N-[(4-ethylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119743684
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
2-(2-methoxyethylamino)-N-(4-methylpentyl)acetamide;hydrochloride
CID 119718684
2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
CID 119898863
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119885076
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride (CID 119898912) is 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride is COCCNCC(=O)NCC1CCN(CCC(C)C)CC1.Cl.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
The InChIKey is DPBASCJKGAYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2.2ClH/c1-14(2)4-8-19-9-5-15(6-10-19)12-18-16(20)13-17-7-11-21-3;;/h14-15,17H,4-13H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride?
2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride has a molecular weight of 372.38 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119898912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).