3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid

C12H15N3O4 — CID 63136298

IUPAC3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C12H15N3O4/c1-12(11(16)17)4-2-6-14(8-12)9-3-5-13-7-10(9)15(18)19/h3,5,7H,2,4,6,8H2,1H3,(H,16,17)
InChIKeyUVZHFDCGZKWHFV-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.68
Rot. Bonds3

About 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid

3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 63136298) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid
PubChem CID63136298
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C12H15N3O4/c1-12(11(16)17)4-2-6-14(8-12)9-3-5-13-7-10(9)15(18)19/h3,5,7H,2,4,6,8H2,1H3,(H,16,17)
InChIKeyUVZHFDCGZKWHFV-UHFFFAOYSA-N
XLogP1.68
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.68
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'}

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Related Compounds

1-[3-methyl-1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethenol
CID 89240878
1-(3-chloro-2-nitrophenyl)-3-methylpiperidine-3-carboxylic acid
CID 104835170
3-methyl-1-(4-methyl-3-nitrophenyl)piperidine-3-carboxylic acid
CID 63135576
1-(4-chloro-5-fluoro-2-nitrophenyl)-3-methylpiperidine-3-carboxylic acid
CID 66078140
2-methyl-2-[1-(3-nitro-4-pyridinyl)piperidin-3-yl]propanoic acid
CID 83199130
1-(3-methoxy-4-nitrophenyl)-3-methylpiperidine-3-carboxylic acid
CID 63670396
1-(3-nitro-4-pyridinyl)piperidin-4-one
CID 28889589
1-(3-nitro-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43114072
3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine
CID 86811032
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
1-(3-nitro-4-pyridinyl)piperidine-2-carboxylic acid
CID 43114074
1-[4-(3-hydroxy-3-methylpiperidin-1-yl)-3-nitrophenyl]ethanone
CID 115871453

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid (CID 63136298) is 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(c2ccncc2[N+](=O)[O-])C1.
What is the InChIKey of 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is UVZHFDCGZKWHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(11(16)17)4-2-6-14(8-12)9-3-5-13-7-10(9)15(18)19/h3,5,7H,2,4,6,8H2,1H3,(H,16,17).
What are the key properties of 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid?
3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).