1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione

C14H17N3O5 — CID 15992452

IUPAC1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione
SMILESCOCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O5/c1-22-8-7-15-11-6-5-10(9-12(11)17(20)21)16-13(18)3-2-4-14(16)19/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyFBDZCYAIFSBZCF-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.70
Rot. Bonds6

About 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione

1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione (PubChem CID 15992452) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione
PubChem CID15992452
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione
SMILESCOCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H17N3O5/c1-22-8-7-15-11-6-5-10(9-12(11)17(20)21)16-13(18)3-2-4-14(16)19/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyFBDZCYAIFSBZCF-UHFFFAOYSA-N
XLogP1.70
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione (CID 15992452) is 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione is COCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione?
The InChIKey is FBDZCYAIFSBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-22-8-7-15-11-6-5-10(9-12(11)17(20)21)16-13(18)3-2-4-14(16)19/h5-6,9,15H,2-4,7-8H2,1H3.
What are the key properties of 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione?
1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione has a molecular weight of 307.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylamino)-3-nitrophenyl]piperidine-2,6-dione is sourced from PubChem (CID 15992452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).