4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid

C14H19N3O4 — CID 66278705

IUPAC4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncc(C)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O4/c1-3-14(13(18)19)4-6-16(7-5-14)12-11(17(20)21)8-10(2)9-15-12/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyGFDUFZOAIKICBK-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.38
Rot. Bonds4

About 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid

4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 66278705) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID66278705
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncc(C)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H19N3O4/c1-3-14(13(18)19)4-6-16(7-5-14)12-11(17(20)21)8-10(2)9-15-12/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyGFDUFZOAIKICBK-UHFFFAOYSA-N
XLogP2.38
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.38
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-nitropyridin-2-yl)azetidine-3-carboxylic Acid
CID 3452384
4-[(3-Nitro-2-pyridinyl)amino]butanoic acid
CID 2764382
[1-(5-Nitropyridin-2-yl)piperidin-4-yl]methanol
CID 47002902
1-(5-Methylpyridin-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45792456
2-[4-(5-Nitro-2-pyridinyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 2809570
1-(5-Methylpyridin-2-yl)piperidine-4-carboxylic acid
CID 16795673
[1-(5-Fluoro-3-nitro-2-pyridinyl)-4-hydroxypiperidin-4-yl] acetate
CID 57960316
4-Fluoro-1-(3-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 57960505
[4-Fluoro-1-(5-nitro-2-pyridinyl)piperidin-4-yl]methanol
CID 68038511
Methyl 1-(5-fluoro-3-nitro-2-pyridinyl)-4-hydroxypiperidine-4-carboxylate
CID 68089286
Ethyl 1-(5-fluoro-3-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 68089653
(3R)-3-[6-[(4,4-difluorocyclohexyl)-(2-methylpropyl)amino]-5-nitro-3-pyridinyl]butanoic acid
CID 135151777

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid (CID 66278705) is 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2ncc(C)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is GFDUFZOAIKICBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-14(13(18)19)4-6-16(7-5-14)12-11(17(20)21)8-10(2)9-15-12/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid?
4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 66278705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).