4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide

C22H28N4O2 — CID 142713208

IUPAC4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-24-9-11-25(12-10-24)20-7-5-18(6-8-20)22(27)23-19-3-2-4-21(17-19)26-13-15-28-16-14-26/h2-8,17H,9-16H2,1H3,(H,23,27)
InChIKeyMJKXFEKBEGTBJO-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.53
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide

4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 142713208) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID142713208
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)CC1
InChIInChI=1S/C22H28N4O2/c1-24-9-11-25(12-10-24)20-7-5-18(6-8-20)22(27)23-19-3-2-4-21(17-19)26-13-15-28-16-14-26/h2-8,17H,9-16H2,1H3,(H,23,27)
InChIKeyMJKXFEKBEGTBJO-UHFFFAOYSA-N
XLogP2.53
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(1,3-dithiolan-2-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 75416504
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951793
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-morpholin-4-ylbenzamide
CID 21173939
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide (CID 142713208) is 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide is CN1CCN(c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is MJKXFEKBEGTBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-24-9-11-25(12-10-24)20-7-5-18(6-8-20)22(27)23-19-3-2-4-21(17-19)26-13-15-28-16-14-26/h2-8,17H,9-16H2,1H3,(H,23,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide?
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 142713208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).