N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride

C14H20ClN3O4 — CID 119442473

IUPACN-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCNCC1.Cl
InChIInChI=1S/C14H19N3O4.ClH/c1-16(11-6-8-15-9-7-11)14(18)10-21-13-5-3-2-4-12(13)17(19)20;/h2-5,11,15H,6-10H2,1H3;1H
InChIKeyUDNUUEURGMILPN-UHFFFAOYSA-N
MW329.78 g/mol
LogP1.61
Rot. Bonds5

About N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride

N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119442473) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119442473
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC NameN-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCNCC1.Cl
InChIInChI=1S/C14H19N3O4.ClH/c1-16(11-6-8-15-9-7-11)14(18)10-21-13-5-3-2-4-12(13)17(19)20;/h2-5,11,15H,6-10H2,1H3;1H
InChIKeyUDNUUEURGMILPN-UHFFFAOYSA-N
XLogP1.61
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 51.61
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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Related Compounds

2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119442293
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
2-(2,6-dimethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444398
3-(2-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
1-(2-methylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119471386
2-(4-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441584
2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
N-methyl-N-(2-nitrophenyl)piperidin-4-amine
CID 171544363

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride (CID 119442473) is N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCNCC1.Cl.
What is the InChIKey of N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is UDNUUEURGMILPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4.ClH/c1-16(11-6-8-15-9-7-11)14(18)10-21-13-5-3-2-4-12(13)17(19)20;/h2-5,11,15H,6-10H2,1H3;1H.
What are the key properties of N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride?
N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 329.78 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-nitrophenoxy)-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119442473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).