4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide

C19H20N4O5 — CID 86830350

IUPAC4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
SMILESCc1c([N+](=O)[O-])cc(C(=O)NC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O5/c1-13-17(22(25)26)11-14(12-18(13)23(27)28)19(24)20-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10H2,1H3,(H,20,24)
InChIKeyBPDIZLSHPTZXFX-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.21
Rot. Bonds5

About 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide

4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide (PubChem CID 86830350) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
PubChem CID86830350
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide
SMILESCc1c([N+](=O)[O-])cc(C(=O)NC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O5/c1-13-17(22(25)26)11-14(12-18(13)23(27)28)19(24)20-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10H2,1H3,(H,20,24)
InChIKeyBPDIZLSHPTZXFX-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
2-(2-nitrophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
3-fluoro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-methyl-5-nitrobenzamide
CID 55838280
2-methyl-N-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]benzamide
CID 47053984
2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830352
4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 86828685
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
4-methyl-3,5-dinitro-N-(4-piperidin-1-ylphenyl)benzamide
CID 19174938
4-[4-(benzenesulfonamido)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 26031798
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
N-[1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]benzamide
CID 24587906
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide?
The IUPAC name of 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide (CID 86830350) is 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide is Cc1c([N+](=O)[O-])cc(C(=O)NC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide?
The InChIKey is BPDIZLSHPTZXFX-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)20-15-7-9-21(10-8-15)16-5-3-2-4-6-16/h2-6,11-12,15H,7-10H2,1H3,(H,20,24).
What are the key properties of 4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide?
4-methyl-3,5-dinitro-N-(1-phenylpiperidin-4-yl)benzamide has a molecular weight of 384.39 g/mol, XLogP of 3.21, 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-(1-phenylpiperidin-4-yl)benzamide is sourced from PubChem (CID 86830350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).