4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid

C14H16N2O7 — CID 119250934

IUPAC4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H16N2O7/c1-23-11-3-2-9(16(21)22)8-10(11)12(17)15-6-4-14(20,5-7-15)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19)
InChIKeyHYWQYYJGRQKJAZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP0.66
Rot. Bonds4

About 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid (PubChem CID 119250934) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
PubChem CID119250934
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C14H16N2O7/c1-23-11-3-2-9(16(21)22)8-10(11)12(17)15-6-4-14(20,5-7-15)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19)
InChIKeyHYWQYYJGRQKJAZ-UHFFFAOYSA-N
XLogP0.66
TPSA130.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid 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

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 80701880
1-(2-methoxy-5-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338263
4-hydroxy-1-(2-methyl-4-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119252038
4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119251933
1-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021647
4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
CID 119251705
(4-aminopiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone;hydrochloride
CID 119376661
(2-methoxy-5-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9255492
(3-hydroxypiperidin-1-yl)-(2-methoxy-5-nitrophenyl)methanone
CID 43393878
(2-methoxy-5-nitrophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134061269
1-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 30806889
(3-hydroxy-3-methylpyrrolidin-1-yl)-(2-methoxy-4-nitrophenyl)methanone
CID 103357512

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid (CID 119250934) is 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid is COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is HYWQYYJGRQKJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7/c1-23-11-3-2-9(16(21)22)8-10(11)12(17)15-6-4-14(20,5-7-15)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 324.29 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119250934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).