2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide

C17H24N4O3 — CID 108517102

IUPAC2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C17H24N4O3/c1-19-6-8-21(9-7-19)17(23)16(22)18-14-4-2-3-5-15(14)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3,(H,18,22)
InChIKeyYKYUANCNWXYIGM-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.24
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide

2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 108517102) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID108517102
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C17H24N4O3/c1-19-6-8-21(9-7-19)17(23)16(22)18-14-4-2-3-5-15(14)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3,(H,18,22)
InChIKeyYKYUANCNWXYIGM-UHFFFAOYSA-N
XLogP0.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108527539
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108516948
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
N-(2-morpholin-4-ylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110823
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide (CID 108517102) is 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide is CN1CCN(C(=O)C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is YKYUANCNWXYIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19-6-8-21(9-7-19)17(23)16(22)18-14-4-2-3-5-15(14)20-10-12-24-13-11-20/h2-5H,6-13H2,1H3,(H,18,22).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide has a molecular weight of 332.40 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108517102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).