1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

C12H17N4O4+ — CID 7219182

IUPAC1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)CC2)[nH+]1
InChIInChI=1S/C12H16N4O4/c1-20-10-3-2-9(16(18)19)12(14-10)15-6-4-8(5-7-15)11(13)17/h2-3,8H,4-7H2,1H3,(H2,13,17)/p+1
InChIKeyIXMYLJSZROHNPP-UHFFFAOYSA-O
MW281.29 g/mol
LogP0.12
Rot. Bonds4

About 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide (PubChem CID 7219182) has the molecular formula C12H17N4O4+ and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide
PubChem CID7219182
Molecular FormulaC12H17N4O4+
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)CC2)[nH+]1
InChIInChI=1S/C12H16N4O4/c1-20-10-3-2-9(16(18)19)12(14-10)15-6-4-8(5-7-15)11(13)17/h2-3,8H,4-7H2,1H3,(H2,13,17)/p+1
InChIKeyIXMYLJSZROHNPP-UHFFFAOYSA-O
XLogP0.12
TPSA112.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.12
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-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
CID 3890485
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 32978677
1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide
CID 156695356
methyl 1-(5-methoxy-2-nitrophenyl)pyrrolidine-3-carboxylate
CID 79033589
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
CID 8873562
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 115321461
6-(4-carbamoylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81441699
1-[(4-methoxy-3-nitrophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906663
1-[1-(4-nitrophenyl)piperidin-4-yl]piperidine-4-carboxamide
CID 172592234
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
1-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 4845441

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide (CID 7219182) is 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide is COc1ccc([N+](=O)[O-])c(N2CCC(C(N)=O)CC2)[nH+]1.
What is the InChIKey of 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide?
The InChIKey is IXMYLJSZROHNPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16N4O4/c1-20-10-3-2-9(16(18)19)12(14-10)15-6-4-8(5-7-15)11(13)17/h2-3,8H,4-7H2,1H3,(H2,13,17)/p+1.
What are the key properties of 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide?
1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide has a molecular weight of 281.29 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 7219182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).