N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide

C14H19N3O4 — CID 63876721

IUPACN-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COC1CCNCC1
InChIInChI=1S/C14H19N3O4/c1-10-8-11(17(19)20)2-3-13(10)16-14(18)9-21-12-4-6-15-7-5-12/h2-3,8,12,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyHXJVPWYKPBFWSJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.61
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide

N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide (PubChem CID 63876721) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
PubChem CID63876721
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COC1CCNCC1
InChIInChI=1S/C14H19N3O4/c1-10-8-11(17(19)20)2-3-13(10)16-14(18)9-21-12-4-6-15-7-5-12/h2-3,8,12,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyHXJVPWYKPBFWSJ-UHFFFAOYSA-N
XLogP1.61
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.61
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

N-(2-fluoro-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63877274
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
CID 102655811
trans-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019633
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 63876200
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
1-(2-cyclopentyloxyethyl)-3-(2-methyl-4-nitrophenyl)urea
CID 99716529
2-piperidin-4-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 39062816
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
1-O-methyl 4-O-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 18085476
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide (CID 63876721) is N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)COC1CCNCC1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
The InChIKey is HXJVPWYKPBFWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-8-11(17(19)20)2-3-13(10)16-14(18)9-21-12-4-6-15-7-5-12/h2-3,8,12,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide?
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide has a molecular weight of 293.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63876721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).