2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

C21H27N3O4 — CID 2653964

IUPAC2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-26-18-13-16(14-19(27-2)21(18)28-3)22-20(25)15-23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)
InChIKeyYKRYJGCXSZHFCA-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.47
Rot. Bonds7

About 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2653964) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2653964
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-26-18-13-16(14-19(27-2)21(18)28-3)22-20(25)15-23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)
InChIKeyYKRYJGCXSZHFCA-UHFFFAOYSA-N
XLogP2.47
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-oxo-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95920681
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 10070201
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24816181
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 2653964) is 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YKRYJGCXSZHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-18-13-16(14-19(27-2)21(18)28-3)22-20(25)15-23-9-11-24(12-10-23)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2653964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).