2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide

C17H25N5O4 — CID 2866811

IUPAC2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H25N5O4/c1-19-4-6-20(7-5-19)13-17(23)18-15-12-14(2-3-16(15)22(24)25)21-8-10-26-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,18,23)
InChIKeyUCOFVGLFYVVPCH-UHFFFAOYSA-N
MW363.42 g/mol
LogP0.62
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide

2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide (PubChem CID 2866811) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide
PubChem CID2866811
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide
SMILESCN1CCN(CC(=O)Nc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H25N5O4/c1-19-4-6-20(7-5-19)13-17(23)18-15-12-14(2-3-16(15)22(24)25)21-8-10-26-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,18,23)
InChIKeyUCOFVGLFYVVPCH-UHFFFAOYSA-N
XLogP0.62
TPSA91.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dimethyl-6-(4-morpholinyl)-7-nitro-1,4-dihydro-2,3-quinoxalinedione
CID 2992790
2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
1-(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-3-nitrophenyl)piperidine-2,6-dione
CID 16004154
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
4-(4-Nitro-3-piperidin-1-ylphenyl)morpholine
CID 4373472
4-(2,4,6-Trinitrophenyl)morpholine
CID 3103777
5-Morpholino-2-nitroaniline
CID 596725
1-{4-[(2-Methoxyethyl)amino]-3-nitrophenyl}piperidine-2,6-dione
CID 15992452
4-(2-Nitro-5-piperidin-1-ylphenyl)morpholine
CID 2888807
N-[4-[4-[3-(2-morpholin-4-ylethylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2941238
1-{4-[(3-Ethoxypropyl)amino]-3-nitrophenyl}piperidine-2,6-dione
CID 15996450

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide (CID 2866811) is 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide is CN1CCN(CC(=O)Nc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide?
The InChIKey is UCOFVGLFYVVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-19-4-6-20(7-5-19)13-17(23)18-15-12-14(2-3-16(15)22(24)25)21-8-10-26-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,18,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide is sourced from PubChem (CID 2866811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).