4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide

C22H26N4O4 — CID 4810767

IUPAC4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H26N4O4/c27-22(23-18-5-7-19(8-6-18)24-10-2-1-3-11-24)17-4-9-20(21(16-17)26(28)29)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,23,27)
InChIKeyBGWBWEDJGZSNTE-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.67
Rot. Bonds5

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

4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 4810767) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID4810767
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H26N4O4/c27-22(23-18-5-7-19(8-6-18)24-10-2-1-3-11-24)17-4-9-20(21(16-17)26(28)29)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,23,27)
InChIKeyBGWBWEDJGZSNTE-UHFFFAOYSA-N
XLogP3.67
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17118272
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902
N-(4-methoxyphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2964862
N-(4-methylsulfonylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 18291350
N-(4-carbamoylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 26253023
N-(4-benzamidophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510251
3-nitro-4-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 22781099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholin-4-yl-3-nitrobenzamide
CID 3491966
3-nitro-4-piperidin-1-yl-N-[4-(propanoylamino)phenyl]benzamide
CID 3307696
3-nitro-N-[4-(phenylcarbamoylamino)phenyl]-4-pyrrolidin-1-ylbenzamide
CID 55527532
N-(4-morpholin-4-yl-3-nitrophenyl)-4-nitrobenzamide
CID 17127125
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide (CID 4810767) is 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is BGWBWEDJGZSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-22(23-18-5-7-19(8-6-18)24-10-2-1-3-11-24)17-4-9-20(21(16-17)26(28)29)25-12-14-30-15-13-25/h4-9,16H,1-3,10-15H2,(H,23,27).
What are the key properties of 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide?
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 4810767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).