N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide

C34H36N6O3 — CID 67112495

IUPACN-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C34H36N6O3/c41-33(25-1-13-31(14-2-25)39-19-17-35-18-20-39)37-29-9-5-27(6-10-29)36-28-7-11-30(12-8-28)38-34(42)26-3-15-32(16-4-26)40-21-23-43-24-22-40/h1-16,35-36H,17-24H2,(H,37,41)(H,38,42)
InChIKeyCUMRNEXJAOBETJ-UHFFFAOYSA-N
MW576.70 g/mol
LogP5.18
Rot. Bonds8

About N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide

N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide (PubChem CID 67112495) has the molecular formula C34H36N6O3 and a molecular weight of 576.70 g/mol. Its IUPAC name is N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
PubChem CID67112495
Molecular FormulaC34H36N6O3
Molecular Weight576.70 g/mol
Exact Mass576.28
IUPAC NameN-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
SMILESO=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C34H36N6O3/c41-33(25-1-13-31(14-2-25)39-19-17-35-18-20-39)37-29-9-5-27(6-10-29)36-28-7-11-30(12-8-28)38-34(42)26-3-15-32(16-4-26)40-21-23-43-24-22-40/h1-16,35-36H,17-24H2,(H,37,41)(H,38,42)
InChIKeyCUMRNEXJAOBETJ-UHFFFAOYSA-N
XLogP5.18
TPSA97.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
2-[4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]propanoic acid
CID 54057200
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
CID 120541058
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
4-bromo-3-fluoro-N-(4-piperazin-1-ylphenyl)benzamide
CID 167838985
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide?
The IUPAC name of N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide (CID 67112495) is N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide.
What is the SMILES notation for N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide?
The canonical SMILES for N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide is O=C(Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1)c1ccc(N2CCNCC2)cc1.
What is the InChIKey of N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide?
The InChIKey is CUMRNEXJAOBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3/c41-33(25-1-13-31(14-2-25)39-19-17-35-18-20-39)37-29-9-5-27(6-10-29)36-28-7-11-30(12-8-28)38-34(42)26-3-15-32(16-4-26)40-21-23-43-24-22-40/h1-16,35-36H,17-24H2,(H,37,41)(H,38,42).
What are the key properties of N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide?
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide has a molecular weight of 576.70 g/mol, XLogP of 5.18, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 67112495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).