2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H32N4O6 — CID 43039682

IUPAC2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H32N4O6/c1-28-17-12-16(13-18(29-2)21(17)30-3)22-19(26)14-23-4-6-25(7-5-23)20(27)15-24-8-10-31-11-9-24/h12-13H,4-11,14-15H2,1-3H3,(H,22,26)
InChIKeyRMRZWMQDAJMYQJ-UHFFFAOYSA-N
MW436.51 g/mol
LogP0.13
Rot. Bonds8

About 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 43039682) has the molecular formula C21H32N4O6 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID43039682
Molecular FormulaC21H32N4O6
Molecular Weight436.51 g/mol
Exact Mass436.23
IUPAC Name2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H32N4O6/c1-28-17-12-16(13-18(29-2)21(17)30-3)22-19(26)14-23-4-6-25(7-5-23)20(27)15-24-8-10-31-11-9-24/h12-13H,4-11,14-15H2,1-3H3,(H,22,26)
InChIKeyRMRZWMQDAJMYQJ-UHFFFAOYSA-N
XLogP0.13
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 43039662
N-(2,6-dimethylphenyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 27850794
2-(3,5-dimethylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46800836
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 55476509
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37406662
N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55498242
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 43039682) is 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is RMRZWMQDAJMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O6/c1-28-17-12-16(13-18(29-2)21(17)30-3)22-19(26)14-23-4-6-25(7-5-23)20(27)15-24-8-10-31-11-9-24/h12-13H,4-11,14-15H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 436.51 g/mol, XLogP of 0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 43039682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).