2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide

C15H20N4O4 — CID 3220836

IUPAC2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCC(=O)NC1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H20N4O4/c1-11(20)16-12-5-7-18(8-6-12)10-15(21)17-13-3-2-4-14(9-13)19(22)23/h2-4,9,12H,5-8,10H2,1H3,(H,16,20)(H,17,21)
InChIKeyNOLPFRMXYUTKMG-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.13
Rot. Bonds5

About 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide

2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 3220836) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide
PubChem CID3220836
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCC(=O)NC1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H20N4O4/c1-11(20)16-12-5-7-18(8-6-12)10-15(21)17-13-3-2-4-14(9-13)19(22)23/h2-4,9,12H,5-8,10H2,1H3,(H,16,20)(H,17,21)
InChIKeyNOLPFRMXYUTKMG-UHFFFAOYSA-N
XLogP1.13
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.13
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'}

Analyze 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Nitroacetanilide
CID 31206
1-(3-Nitrophenyl)piperazine
CID 2760216
N-ethyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 2974347
N-Methyl-N-(3-nitrophenyl)acetamide
CID 676602
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
1-Acetyl-4-(4-nitrophenyl)piperazine
CID 2865149
2-(azepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 972890
2-(4-acetylpiperazin-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
CID 2088142
N-(3-nitrophenyl)-4-phenylpiperazine-1-carboxamide
CID 2984447
N-(1-{[(2-Nitrophenyl)carbamoyl]methyl}piperidin-4-YL)cyclopropanecarboxamide
CID 3220823
2-(3-nitroanilino)-N-(3-phenylpropyl)acetamide
CID 9327204
N-(cyclohexylcarbamoyl)-2-(3-nitroanilino)acetamide
CID 9464483

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide (CID 3220836) is 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide is CC(=O)NC1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is NOLPFRMXYUTKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-11(20)16-12-5-7-18(8-6-12)10-15(21)17-13-3-2-4-14(9-13)19(22)23/h2-4,9,12H,5-8,10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 3220836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).