2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide

C13H27N3O3 — CID 79327489

IUPAC2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H27N3O3/c1-18-9-10-19-8-2-5-15-13(17)11-16-6-3-12(14)4-7-16/h12H,2-11,14H2,1H3,(H,15,17)
InChIKeyGWSHISTXWOPFHS-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.42
Rot. Bonds9

About 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide

2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide (PubChem CID 79327489) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
PubChem CID79327489
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H27N3O3/c1-18-9-10-19-8-2-5-15-13(17)11-16-6-3-12(14)4-7-16/h12H,2-11,14H2,1H3,(H,15,17)
InChIKeyGWSHISTXWOPFHS-UHFFFAOYSA-N
XLogP-0.42
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.42
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

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115307268
2-(3-aminopiperidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 61295530
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 79328495
2-[4-(ethylamino)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 54956649
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide (CID 79327489) is 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide is COCCOCCCNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide?
The InChIKey is GWSHISTXWOPFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-18-9-10-19-8-2-5-15-13(17)11-16-6-3-12(14)4-7-16/h12H,2-11,14H2,1H3,(H,15,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of -0.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide is sourced from PubChem (CID 79327489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).