2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide

C22H27N3O4 — CID 46472029

IUPAC2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1cccc(COCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-28-20-9-5-6-18(14-20)16-29-17-22(27)25-12-10-24(11-13-25)15-21(26)23-19-7-3-2-4-8-19/h2-9,14H,10-13,15-17H2,1H3,(H,23,26)
InChIKeyLMZMHNKWIFEUSH-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.99
Rot. Bonds8

About 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 46472029) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID46472029
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1cccc(COCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-28-20-9-5-6-18(14-20)16-29-17-22(27)25-12-10-24(11-13-25)15-21(26)23-19-7-3-2-4-8-19/h2-9,14H,10-13,15-17H2,1H3,(H,23,26)
InChIKeyLMZMHNKWIFEUSH-UHFFFAOYSA-N
XLogP1.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
2-(3-methoxyphenyl)-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 131909721
N-(4-fluorophenyl)-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 7336695
N-(4-chlorophenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195037
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469565
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetamide;hydrochloride
CID 2958479
2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17281533
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
N-(4-aminophenyl)-2-[(3-methoxyphenyl)methoxy]acetamide
CID 24708109

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide (CID 46472029) is 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide is COc1cccc(COCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is LMZMHNKWIFEUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-20-9-5-6-18(14-20)16-29-17-22(27)25-12-10-24(11-13-25)15-21(26)23-19-7-3-2-4-8-19/h2-9,14H,10-13,15-17H2,1H3,(H,23,26).
What are the key properties of 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 397.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-methoxyphenyl)methoxy]acetyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 46472029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).