2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide

C19H28N4O3 — CID 108504026

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC(C)O1
InChIInChI=1S/C19H28N4O3/c1-14-12-23(13-15(2)26-14)19(25)18(24)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,14-15H,8-13H2,1-3H3,(H,20,24)
InChIKeyFQZGQLNWHFJKBH-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.01
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide

2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide (PubChem CID 108504026) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
PubChem CID108504026
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC(C)O1
InChIInChI=1S/C19H28N4O3/c1-14-12-23(13-15(2)26-14)19(25)18(24)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,14-15H,8-13H2,1-3H3,(H,20,24)
InChIKeyFQZGQLNWHFJKBH-UHFFFAOYSA-N
XLogP1.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 154805597
(Z)-2,3-dimethyl-4-[4-(4-methylpiperazin-1-yl)anilino]-4-oxobut-2-enoic acid
CID 39201040
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
1-(2,6-dimethylmorpholin-4-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 108503946
N-(2,6-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504097
N'-(2,6-dimethylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108527636
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60611860
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide (CID 108504026) is 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide is CC1CN(C(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
The InChIKey is FQZGQLNWHFJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14-12-23(13-15(2)26-14)19(25)18(24)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,14-15H,8-13H2,1-3H3,(H,20,24).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide?
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide has a molecular weight of 360.46 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 108504026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).