2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide

C15H21N3O5 — CID 119442293

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
SMILESCOc1cc(OCC(=O)N(C)C2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O5/c1-17(11-5-7-16-8-6-11)15(19)10-23-12-3-4-13(18(20)21)14(9-12)22-2/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeySDAZUUKWZFRIFN-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.19
Rot. Bonds6

About 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide

2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 119442293) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
PubChem CID119442293
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
SMILESCOc1cc(OCC(=O)N(C)C2CCNCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O5/c1-17(11-5-7-16-8-6-11)15(19)10-23-12-3-4-13(18(20)21)14(9-12)22-2/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeySDAZUUKWZFRIFN-UHFFFAOYSA-N
XLogP1.19
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.19
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

N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119442473
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
3-methoxy-N-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552123
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride
CID 119582603
2-(3-methoxy-4-nitrophenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577792
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
N-benzyl-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide
CID 48845505
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
CID 104783801
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide (CID 119442293) is 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide is COc1cc(OCC(=O)N(C)C2CCNCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is SDAZUUKWZFRIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-17(11-5-7-16-8-6-11)15(19)10-23-12-3-4-13(18(20)21)14(9-12)22-2/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 323.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119442293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).