2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide

C20H25N3O3 — CID 51117273

IUPAC2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(COCCOc1ccccc1)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N3O3/c24-20(16-25-14-15-26-18-6-2-1-3-7-18)22-17-9-12-23(13-10-17)19-8-4-5-11-21-19/h1-8,11,17H,9-10,12-16H2,(H,22,24)
InChIKeyAJOROLKLYVSWRL-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.26
Rot. Bonds8

About 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide

2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide (PubChem CID 51117273) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
PubChem CID51117273
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
SMILESO=C(COCCOc1ccccc1)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N3O3/c24-20(16-25-14-15-26-18-6-2-1-3-7-18)22-17-9-12-23(13-10-17)19-8-4-5-11-21-19/h1-8,11,17H,9-10,12-16H2,(H,22,24)
InChIKeyAJOROLKLYVSWRL-UHFFFAOYSA-N
XLogP2.26
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide (CID 51117273) is 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide is O=C(COCCOc1ccccc1)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is AJOROLKLYVSWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-20(16-25-14-15-26-18-6-2-1-3-7-18)22-17-9-12-23(13-10-17)19-8-4-5-11-21-19/h1-8,11,17H,9-10,12-16H2,(H,22,24).
What are the key properties of 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 51117273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).