(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone

C13H16N2O5 — CID 103746323

IUPAC(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1
InChIInChI=1S/C13H16N2O5/c1-20-9-5-7-14(8-6-9)13(17)10-3-2-4-11(12(10)16)15(18)19/h2-4,9,16H,5-8H2,1H3
InChIKeyHWRSDCQRKOBOFV-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.55
Rot. Bonds3

About (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone

(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone (PubChem CID 103746323) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
PubChem CID103746323
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1
InChIInChI=1S/C13H16N2O5/c1-20-9-5-7-14(8-6-9)13(17)10-3-2-4-11(12(10)16)15(18)19/h2-4,9,16H,5-8H2,1H3
InChIKeyHWRSDCQRKOBOFV-UHFFFAOYSA-N
XLogP1.55
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.55
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'}

Analyze (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-3-nitrophenyl)-[(4R)-4-propoxyazepan-1-yl]methanone
CID 99635860
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 103874601
(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103800253
(5-chloro-2-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43216619
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 97235750
[2-(methylamino)-3-nitrophenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 112580603
[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 81469493
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
(3-hydroxypyrrolidin-1-yl)-(2-methyl-3-nitrophenyl)methanone
CID 62918267

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone (CID 103746323) is (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1.
What is the InChIKey of (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is HWRSDCQRKOBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-9-5-7-14(8-6-9)13(17)10-3-2-4-11(12(10)16)15(18)19/h2-4,9,16H,5-8H2,1H3.
What are the key properties of (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone?
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 280.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 103746323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).