2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide

C19H23N3O2 — CID 2813152

IUPAC2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)15-19(23)20-17-9-5-6-10-18(17)24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyGKRKJKAVJFQUNM-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.66
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide

2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide (PubChem CID 2813152) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide
PubChem CID2813152
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)15-19(23)20-17-9-5-6-10-18(17)24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyGKRKJKAVJFQUNM-UHFFFAOYSA-N
XLogP2.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide (CID 2813152) is 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide is CN1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is GKRKJKAVJFQUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-11-13-22(14-12-21)15-19(23)20-17-9-5-6-10-18(17)24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2813152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).