2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

C15H22ClN3O4 — CID 119556766

IUPAC2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1[N+](=O)[O-])NCCC1CCCNC1
InChIInChI=1S/C15H21N3O4.ClH/c19-15(17-9-7-12-4-3-8-16-10-12)11-22-14-6-2-1-5-13(14)18(20)21;/h1-2,5-6,12,16H,3-4,7-11H2,(H,17,19);1H
InChIKeyWGLOEKCASYJZSE-UHFFFAOYSA-N
MW343.81 g/mol
LogP1.90
Rot. Bonds7

About 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride

2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119556766) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119556766
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1[N+](=O)[O-])NCCC1CCCNC1
InChIInChI=1S/C15H21N3O4.ClH/c19-15(17-9-7-12-4-3-8-16-10-12)11-22-14-6-2-1-5-13(14)18(20)21;/h1-2,5-6,12,16H,3-4,7-11H2,(H,17,19);1H
InChIKeyWGLOEKCASYJZSE-UHFFFAOYSA-N
XLogP1.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 51.90
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'}

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Related Compounds

2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
2-(2-nitroanilino)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557911
2-(3-methoxy-4-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119534991
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
CID 119427117
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557947
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride (CID 119556766) is 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is Cl.O=C(COc1ccccc1[N+](=O)[O-])NCCC1CCCNC1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is WGLOEKCASYJZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c19-15(17-9-7-12-4-3-8-16-10-12)11-22-14-6-2-1-5-13(14)18(20)21;/h1-2,5-6,12,16H,3-4,7-11H2,(H,17,19);1H.
What are the key properties of 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride?
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119556766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).