2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

C17H24N4O6 — CID 3220834

IUPAC2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N4O6/c1-26-11-17(23)18-12-5-7-20(8-6-12)10-16(22)19-14-4-3-13(27-2)9-15(14)21(24)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyXKEHIJDFRYPCOI-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.77
Rot. Bonds8

About 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 3220834) has the molecular formula C17H24N4O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID3220834
Molecular FormulaC17H24N4O6
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Name2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C17H24N4O6/c1-26-11-17(23)18-12-5-7-20(8-6-12)10-16(22)19-14-4-3-13(27-2)9-15(14)21(24)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyXKEHIJDFRYPCOI-UHFFFAOYSA-N
XLogP0.77
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 3220834) is 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is COCC(=O)NC1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is XKEHIJDFRYPCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O6/c1-26-11-17(23)18-12-5-7-20(8-6-12)10-16(22)19-14-4-3-13(27-2)9-15(14)21(24)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 3220834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).