2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

C15H22ClN3O5 — CID 120600849

IUPAC2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCOc1cc(OCC(=O)NC2CCNC(C)C2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H21N3O5.ClH/c1-10-7-11(5-6-16-10)17-15(19)9-23-12-3-4-13(18(20)21)14(8-12)22-2;/h3-4,8,10-11,16H,5-7,9H2,1-2H3,(H,17,19);1H
InChIKeyNXDXFGXDSMSPQP-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.66
Rot. Bonds6

About 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride

2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120600849) has the molecular formula C15H22ClN3O5 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120600849
Molecular FormulaC15H22ClN3O5
Molecular Weight359.81 g/mol
Exact Mass359.12
IUPAC Name2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCOc1cc(OCC(=O)NC2CCNC(C)C2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H21N3O5.ClH/c1-10-7-11(5-6-16-10)17-15(19)9-23-12-3-4-13(18(20)21)14(8-12)22-2;/h3-4,8,10-11,16H,5-7,9H2,1-2H3,(H,17,19);1H
InChIKeyNXDXFGXDSMSPQP-UHFFFAOYSA-N
XLogP1.66
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.66
H-Bond Donors ≤ 52
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

cis-(1R,3S)-3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677851
5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
CID 120601078
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 120601482
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxy-4-nitrophenoxy)acetamide;hydrochloride
CID 119602142
2-(3-methoxy-4-nitrophenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577792
2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600141
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119442293
2-(3-methoxy-4-nitrophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 48846540
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119187912
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120600849) is 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is COc1cc(OCC(=O)NC2CCNC(C)C2)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is NXDXFGXDSMSPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5.ClH/c1-10-7-11(5-6-16-10)17-15(19)9-23-12-3-4-13(18(20)21)14(8-12)22-2;/h3-4,8,10-11,16H,5-7,9H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 359.81 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120600849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).