2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

C18H22N4O2 — CID 10019285

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1
InChIInChI=1S/C18H22N4O2/c1-24-16-7-3-2-6-15(16)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23)
InChIKeyDBPWHBFPTPHVLC-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 10019285) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID10019285
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1
InChIInChI=1S/C18H22N4O2/c1-24-16-7-3-2-6-15(16)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23)
InChIKeyDBPWHBFPTPHVLC-UHFFFAOYSA-N
XLogP1.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide (CID 10019285) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is COc1ccccc1N1CCN(CC(=O)Nc2ccccn2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is DBPWHBFPTPHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-7-3-2-6-15(16)22-12-10-21(11-13-22)14-18(23)20-17-8-4-5-9-19-17/h2-9H,10-14H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 326.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 10019285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).