4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid

C14H16N2O7 — CID 119251933

IUPAC4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O7/c1-23-11-3-2-9(8-10(11)16(21)22)12(17)15-6-4-14(20,5-7-15)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19)
InChIKeyXFMXIKUVUXINBR-UHFFFAOYSA-N
MW324.29 g/mol
LogP0.66
Rot. Bonds4

About 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid (PubChem CID 119251933) has the molecular formula C14H16N2O7 and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid
PubChem CID119251933
Molecular FormulaC14H16N2O7
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC Name4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O7/c1-23-11-3-2-9(8-10(11)16(21)22)12(17)15-6-4-14(20,5-7-15)13(18)19/h2-3,8,20H,4-7H2,1H3,(H,18,19)
InChIKeyXFMXIKUVUXINBR-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'}

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Related Compounds

(3-hydroxy-3-methylpiperidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone
CID 115874362
4-hydroxy-1-(2-methoxy-5-nitrobenzoyl)piperidine-4-carboxylic acid
CID 119250934
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 717990
(4-methoxy-3-nitrophenyl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 27825582
azepan-1-yl-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]methanone
CID 31611457
N-[1-(4-methoxy-3-nitrobenzoyl)piperidin-4-yl]acetamide
CID 49348710
(3-aminopyrrolidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone;hydrochloride
CID 119482996
1-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251853
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
(4-methoxy-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413913
[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8933055

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid (CID 119251933) is 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid is COc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-1-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is XFMXIKUVUXINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O7/c1-23-11-3-2-9(8-10(11)16(21)22)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-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(4-methoxy-3-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-(4-methoxy-3-nitrobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).