N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide

C14H19N3O4 — CID 2977497

IUPACN-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCOc1ccc(NC(=O)CN2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-21-11-5-6-12(13(9-11)17(19)20)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18)
InChIKeyAXHVWRYUBUPOEJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.03
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide

N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 2977497) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID2977497
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCOc1ccc(NC(=O)CN2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-21-11-5-6-12(13(9-11)17(19)20)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18)
InChIKeyAXHVWRYUBUPOEJ-UHFFFAOYSA-N
XLogP2.03
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide (CID 2977497) is N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide is COc1ccc(NC(=O)CN2CCCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is AXHVWRYUBUPOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-11-5-6-12(13(9-11)17(19)20)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 293.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2977497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).