3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine

C11H19N5O2 — CID 81459609

IUPAC3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
SMILESCCC1CN(c2c([N+](=O)[O-])ncn2C)CCC1N
InChIInChI=1S/C11H19N5O2/c1-3-8-6-15(5-4-9(8)12)11-10(16(17)18)13-7-14(11)2/h7-9H,3-6,12H2,1-2H3
InChIKeyZYIXFJLOIORXKC-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.89
Rot. Bonds3

About 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine

3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine (PubChem CID 81459609) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
PubChem CID81459609
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine
SMILESCCC1CN(c2c([N+](=O)[O-])ncn2C)CCC1N
InChIInChI=1S/C11H19N5O2/c1-3-8-6-15(5-4-9(8)12)11-10(16(17)18)13-7-14(11)2/h7-9H,3-6,12H2,1-2H3
InChIKeyZYIXFJLOIORXKC-UHFFFAOYSA-N
XLogP0.89
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
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 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
The IUPAC name of 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine (CID 81459609) is 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine is CCC1CN(c2c([N+](=O)[O-])ncn2C)CCC1N.
What is the InChIKey of 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
The InChIKey is ZYIXFJLOIORXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-8-6-15(5-4-9(8)12)11-10(16(17)18)13-7-14(11)2/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine?
3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 81459609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).