4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide

C19H20N4O5 — CID 19174938

IUPAC4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O5/c1-13-17(22(25)26)11-14(12-18(13)23(27)28)19(24)20-15-5-7-16(8-6-15)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24)
InChIKeyWMGDCSXQTSJIPH-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.05
Rot. Bonds5

About 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide

4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 19174938) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID19174938
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O5/c1-13-17(22(25)26)11-14(12-18(13)23(27)28)19(24)20-15-5-7-16(8-6-15)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24)
InChIKeyWMGDCSXQTSJIPH-UHFFFAOYSA-N
XLogP4.05
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.05
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

4-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
4-morpholin-4-yl-3-nitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 4810767
2-methyl-3-nitro-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960700
4-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-nitrobenzamide
CID 2197356
4-methyl-3-nitro-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 42394048
N-(4-acetylphenyl)-4-(azepan-1-yl)-3-nitrobenzamide
CID 7406902
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 21229734
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-methyl-3,5-dinitro-N-(4-sulfamoylphenyl)benzamide
CID 19174927
3-nitro-4-piperidin-1-yl-N-[4-(propanoylamino)phenyl]benzamide
CID 3307696
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-methyl-3-nitrobenzoate
CID 7990377
3-nitro-4-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 22781099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide (CID 19174938) is 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide is Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is WMGDCSXQTSJIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-13-17(22(25)26)11-14(12-18(13)23(27)28)19(24)20-15-5-7-16(8-6-15)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24).
What are the key properties of 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide?
4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 384.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 19174938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).