[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone

C14H19N3O4 — CID 115936436

IUPAC[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCNc1c(C(=O)N2CCC(O)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-15-13-11(4-3-5-12(13)17(20)21)14(19)16-8-6-10(18)7-9-16/h3-5,10,15,18H,2,6-9H2,1H3
InChIKeyBGENJRIRCQWACB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.62
Rot. Bonds4

About [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone

[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 115936436) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID115936436
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCNc1c(C(=O)N2CCC(O)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-2-15-13-11(4-3-5-12(13)17(20)21)14(19)16-8-6-10(18)7-9-16/h3-5,10,15,18H,2,6-9H2,1H3
InChIKeyBGENJRIRCQWACB-UHFFFAOYSA-N
XLogP1.62
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.62
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

[2-(ethylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 115936385
(2-chloro-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 112576230
(2-amino-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 111778737
[2-(methylamino)-3-nitrophenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 112580603
[2-(methylamino)-3-nitrophenyl]-(4-methylazepan-1-yl)methanone
CID 115936769
[4-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 60675953
azepan-1-yl-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936404
1-[[2-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 107351251
(3-ethylpiperidin-1-yl)-[2-(methylamino)-3-nitrophenyl]methanone
CID 115936544
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267
N-butan-2-yl-2-(ethylamino)-3-nitrobenzamide
CID 112580548
(2-amino-3-nitrophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 115678709

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 115936436) is [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone is CCNc1c(C(=O)N2CCC(O)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BGENJRIRCQWACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-15-13-11(4-3-5-12(13)17(20)21)14(19)16-8-6-10(18)7-9-16/h3-5,10,15,18H,2,6-9H2,1H3.
What are the key properties of [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 293.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-nitrophenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 115936436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).