N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide

C20H24N4O4 — CID 4818734

IUPACN-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C20H24N4O4/c1-28-19-10-9-15(24(26)27)13-17(19)22-20(25)14-21-16-7-3-4-8-18(16)23-11-5-2-6-12-23/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3,(H,22,25)
InChIKeyZKJJFBWWCBFLTH-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.64
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide

N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide (PubChem CID 4818734) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
PubChem CID4818734
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C20H24N4O4/c1-28-19-10-9-15(24(26)27)13-17(19)22-20(25)14-21-16-7-3-4-8-18(16)23-11-5-2-6-12-23/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3,(H,22,25)
InChIKeyZKJJFBWWCBFLTH-UHFFFAOYSA-N
XLogP3.64
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
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

N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 24511146
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4839885
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
[2-(2-methoxyanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 4829003
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide (CID 4818734) is N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1N1CCCCC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The InChIKey is ZKJJFBWWCBFLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-28-19-10-9-15(24(26)27)13-17(19)22-20(25)14-21-16-7-3-4-8-18(16)23-11-5-2-6-12-23/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide has a molecular weight of 384.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 4818734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).