2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide

C17H24N4O4 — CID 51094075

IUPAC2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N4O4/c1-18-17(24)19-15(22)12-20-6-8-21(9-7-20)16(23)11-13-4-3-5-14(10-13)25-2/h3-5,10H,6-9,11-12H2,1-2H3,(H2,18,19,22,24)
InChIKeyOOPJAZMMOGFIFK-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.16
Rot. Bonds5

About 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide

2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 51094075) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID51094075
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N4O4/c1-18-17(24)19-15(22)12-20-6-8-21(9-7-20)16(23)11-13-4-3-5-14(10-13)25-2/h3-5,10H,6-9,11-12H2,1-2H3,(H2,18,19,22,24)
InChIKeyOOPJAZMMOGFIFK-UHFFFAOYSA-N
XLogP-0.16
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 47439819
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 57442714
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide (CID 51094075) is 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is OOPJAZMMOGFIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-18-17(24)19-15(22)12-20-6-8-21(9-7-20)16(23)11-13-4-3-5-14(10-13)25-2/h3-5,10H,6-9,11-12H2,1-2H3,(H2,18,19,22,24).
What are the key properties of 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 51094075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).