2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide

C15H21N3O4 — CID 1247565

IUPAC2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-11-9-13(3-4-14(11)18(20)21)22-10-15(19)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyJECCPFFOZKIMAO-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.49
Rot. Bonds5

About 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide

2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 1247565) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID1247565
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCc1cc(OCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-11-9-13(3-4-14(11)18(20)21)22-10-15(19)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8,10H2,1-2H3,(H,16,19)
InChIKeyJECCPFFOZKIMAO-UHFFFAOYSA-N
XLogP1.49
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide (CID 1247565) is 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide is Cc1cc(OCC(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is JECCPFFOZKIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-9-13(3-4-14(11)18(20)21)22-10-15(19)16-12-5-7-17(2)8-6-12/h3-4,9,12H,5-8,10H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide?
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 1247565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).