2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

C22H28N4O4 — CID 1146672

IUPAC2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H28N4O4/c1-29-19-7-3-17(4-8-19)23-21(27)15-25-11-13-26(14-12-25)16-22(28)24-18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYVLFWCFSVULGJO-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.90
Rot. Bonds8

About 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 1146672) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID1146672
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H28N4O4/c1-29-19-7-3-17(4-8-19)23-21(27)15-25-11-13-26(14-12-25)16-22(28)24-18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYVLFWCFSVULGJO-UHFFFAOYSA-N
XLogP1.90
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 1146672) is 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YVLFWCFSVULGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-29-19-7-3-17(4-8-19)23-21(27)15-25-11-13-26(14-12-25)16-22(28)24-18-5-9-20(30-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1146672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).