2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide

C21H26N4O3 — CID 53174905

IUPAC2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H26N4O3/c1-16(26)23-19-7-8-21(22-13-19)28-15-20(27)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyWKNNYHAISQDNOQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.20
Rot. Bonds7

About 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide

2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide (PubChem CID 53174905) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide
PubChem CID53174905
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESCC(=O)Nc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H26N4O3/c1-16(26)23-19-7-8-21(22-13-19)28-15-20(27)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyWKNNYHAISQDNOQ-UHFFFAOYSA-N
XLogP2.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide (CID 53174905) is 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide is CC(=O)Nc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide?
The InChIKey is WKNNYHAISQDNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16(26)23-19-7-8-21(22-13-19)28-15-20(27)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide?
2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-pyridinyl)oxy]-N-(1-benzylpiperidin-4-yl)acetamide is sourced from PubChem (CID 53174905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).