2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

C21H26N4O3 — CID 53161544

IUPAC2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCOc1cccc(CC(=O)NC(C)C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-16(23-20(26)15-17-6-5-7-18(14-17)28-2)21(27)25-12-10-24(11-13-25)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyOCQJBQCEPQMURH-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.49
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 53161544) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID53161544
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCOc1cccc(CC(=O)NC(C)C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-16(23-20(26)15-17-6-5-7-18(14-17)28-2)21(27)25-12-10-24(11-13-25)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyOCQJBQCEPQMURH-UHFFFAOYSA-N
XLogP1.49
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (CID 53161544) is 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is COc1cccc(CC(=O)NC(C)C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is OCQJBQCEPQMURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16(23-20(26)15-17-6-5-7-18(14-17)28-2)21(27)25-12-10-24(11-13-25)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 53161544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).