N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide

C20H24N4O3 — CID 24511146

IUPACN-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C20H24N4O3/c1-15-13-16(24(26)27)9-10-17(15)22-20(25)14-21-18-7-3-4-8-19(18)23-11-5-2-6-12-23/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3,(H,22,25)
InChIKeyUXNKLRMIKIXAPH-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.94
Rot. Bonds6

About N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide

N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide (PubChem CID 24511146) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
PubChem CID24511146
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C20H24N4O3/c1-15-13-16(24(26)27)9-10-17(15)22-20(25)14-21-18-7-3-4-8-19(18)23-11-5-2-6-12-23/h3-4,7-10,13,21H,2,5-6,11-12,14H2,1H3,(H,22,25)
InChIKeyUXNKLRMIKIXAPH-UHFFFAOYSA-N
XLogP3.94
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-5-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4818734
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 33397551
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-cyclohexyl-3-methyl-4-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 55917998
[2-(2,4-dimethylanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate
CID 7837413
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100145

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide (CID 24511146) is N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1N1CCCCC1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The InChIKey is UXNKLRMIKIXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15-13-16(24(26)27)9-10-17(15)22-20(25)14-21-18-7-3-4-8-19(18)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-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide?
N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide has a molecular weight of 368.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-(2-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 24511146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).