ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine

C15H35N3O2 — CID 142400939

IUPACethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine
SMILESCC.CCOCCCNC(C)=O.CN1CCC(N)CC1
InChIInChI=1S/C7H15NO2.C6H14N2.C2H6/c1-3-10-6-4-5-8-7(2)9;1-8-4-2-6(7)3-5-8;1-2/h3-6H2,1-2H3,(H,8,9);6H,2-5,7H2,1H3;1-2H3
InChIKeyWGYJHSCKXJYICQ-UHFFFAOYSA-N
MW289.46 g/mol
LogP1.61
Rot. Bonds5

About ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine

ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine (PubChem CID 142400939) has the molecular formula C15H35N3O2 and a molecular weight of 289.46 g/mol. Its IUPAC name is ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine
PubChem CID142400939
Molecular FormulaC15H35N3O2
Molecular Weight289.46 g/mol
Exact Mass289.27
IUPAC Nameethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine
SMILESCC.CCOCCCNC(C)=O.CN1CCC(N)CC1
InChIInChI=1S/C7H15NO2.C6H14N2.C2H6/c1-3-10-6-4-5-8-7(2)9;1-8-4-2-6(7)3-5-8;1-2/h3-6H2,1-2H3,(H,8,9);6H,2-5,7H2,1H3;1-2H3
InChIKeyWGYJHSCKXJYICQ-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 51.61
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

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
1-Acetyl-4-(methylamino)piperidine
CID 19761265
N-(1-propanoylpiperidin-4-yl)acetamide
CID 46228315
N-(1-acetylpiperidin-4-yl)propanamide
CID 46228316
1-(4-Aminopiperidin-1-yl)-3-methoxypropan-1-one
CID 62590206
N-[1-(3-methoxypropyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51081731
N-[1-(3-methoxypropyl)piperidin-4-yl]-2-methylpropanamide
CID 53510761
Ethyl N-methyl-N-(piperidin-4-YL)carbamate
CID 19761240
N-[1-(propan-2-yl)piperidin-4-yl]acetamide
CID 21132014
N-methyl-N-(piperidin-4-yl)acetamide
CID 21468403
Cambridge id 5458025
CID 2057975

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine?
The IUPAC name of ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine (CID 142400939) is ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine.
What is the SMILES notation for ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine?
The canonical SMILES for ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine is CC.CCOCCCNC(C)=O.CN1CCC(N)CC1.
What is the InChIKey of ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine?
The InChIKey is WGYJHSCKXJYICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H14N2.C2H6/c1-3-10-6-4-5-8-7(2)9;1-8-4-2-6(7)3-5-8;1-2/h3-6H2,1-2H3,(H,8,9);6H,2-5,7H2,1H3;1-2H3.
What are the key properties of ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine?
ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine has a molecular weight of 289.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethoxypropyl)acetamide;1-methylpiperidin-4-amine is sourced from PubChem (CID 142400939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).