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

C16H21N3O5 — CID 15996450

IUPAC1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione
SMILESCCOCCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H21N3O5/c1-2-24-10-4-9-17-13-8-7-12(11-14(13)19(22)23)18-15(20)5-3-6-16(18)21/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyRFNOLKHNVFDWAD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.48
Rot. Bonds8

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

1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione (PubChem CID 15996450) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione
PubChem CID15996450
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione
SMILESCCOCCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H21N3O5/c1-2-24-10-4-9-17-13-8-7-12(11-14(13)19(22)23)18-15(20)5-3-6-16(18)21/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyRFNOLKHNVFDWAD-UHFFFAOYSA-N
XLogP2.48
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.48
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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Related Compounds

(2,4-Dinitrophenyl)[2-(4-morpholinyl)ethyl]amine
CID 2853539
1-(4-{[2-(2-Hydroxyethoxy)ethyl]amino}-3-nitrophenyl)piperidine-2,6-dione
CID 16004154
1-{4-[Ethyl(2-methylprop-2-enyl)amino]-3-nitrophenyl}piperidine-2,6-dione
CID 5204145
1-{4-[(2-Methoxyethyl)amino]-3-nitrophenyl}piperidine-2,6-dione
CID 15992452
1-[4-[3-(Cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2919680
1-(2-Amino-4-nitrophenyl)piperidine-2,6-dione
CID 378296
N-[4-(dimethylamino)-2-nitrophenyl]acetamide
CID 4396139
1-{4-[Benzyl(methyl)amino]-3-nitrophenyl}piperidine-2,6-dione
CID 12005413
N-[2-(morpholin-4-yl)-5-nitrophenyl]acetamide
CID 596194
beta-Alanine, N-(3-(acetylamino)-4-(2-(4-nitrophenyl)diazenyl)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
CID 109075
N-[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]acetamide
CID 2948827
3-[[4-(2,6-Dioxopiperidin-1-yl)-2-nitrophenyl](ethyl)amino]propanenitrile
CID 5087365

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione (CID 15996450) is 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione is CCOCCCNc1ccc(N2C(=O)CCCC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione?
The InChIKey is RFNOLKHNVFDWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-2-24-10-4-9-17-13-8-7-12(11-14(13)19(22)23)18-15(20)5-3-6-16(18)21/h7-8,11,17H,2-6,9-10H2,1H3.
What are the key properties of 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione?
1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione has a molecular weight of 335.36 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxypropylamino)-3-nitrophenyl]piperidine-2,6-dione is sourced from PubChem (CID 15996450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).