2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide

C14H28N2O3 — CID 63628259

IUPAC2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
SMILESCCOC(CCN1CCC(CC(N)=O)CC1)OCC
InChIInChI=1S/C14H28N2O3/c1-3-18-14(19-4-2)7-10-16-8-5-12(6-9-16)11-13(15)17/h12,14H,3-11H2,1-2H3,(H2,15,17)
InChIKeyNTWXYDZYWBNBMG-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.36
Rot. Bonds9

About 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide

2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide (PubChem CID 63628259) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
PubChem CID63628259
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide
SMILESCCOC(CCN1CCC(CC(N)=O)CC1)OCC
InChIInChI=1S/C14H28N2O3/c1-3-18-14(19-4-2)7-10-16-8-5-12(6-9-16)11-13(15)17/h12,14H,3-11H2,1-2H3,(H2,15,17)
InChIKeyNTWXYDZYWBNBMG-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide (CID 63628259) is 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide is CCOC(CCN1CCC(CC(N)=O)CC1)OCC.
What is the InChIKey of 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide?
The InChIKey is NTWXYDZYWBNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-18-14(19-4-2)7-10-16-8-5-12(6-9-16)11-13(15)17/h12,14H,3-11H2,1-2H3,(H2,15,17).
What are the key properties of 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide?
2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide has a molecular weight of 272.39 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-diethoxypropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 63628259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).