2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone

C11H16N4O3 — CID 134052222

IUPAC2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)N1CCCCC1
InChIInChI=1S/C11H16N4O3/c1-9-12-7-10(15(17)18)14(9)8-11(16)13-5-3-2-4-6-13/h7H,2-6,8H2,1H3
InChIKeyGNQMGBCGZJHPGH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.11
Rot. Bonds3

About 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone

2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 134052222) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID134052222
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESCc1ncc([N+](=O)[O-])n1CC(=O)N1CCCCC1
InChIInChI=1S/C11H16N4O3/c1-9-12-7-10(15(17)18)14(9)8-11(16)13-5-3-2-4-6-13/h7H,2-6,8H2,1H3
InChIKeyGNQMGBCGZJHPGH-UHFFFAOYSA-N
XLogP1.11
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
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

2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 87813191
2-(2-methyl-5-nitroimidazol-1-yl)ethanol
CID 173359449
ethane;2-methyl-5-nitro-1-propylimidazole
CID 144763653
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
2-methyl-1-[2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]ethyl]-5-nitroimidazole
CID 13376192
(2R)-3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol
CID 86310263
1-(azocan-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 40753587
ethyl 4-[2-hydroxy-3-(2-methyl-5-nitroimidazol-1-yl)propyl]piperazine-1-carboxylate
CID 134131516
N-(4-methoxyphenyl)-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 2966638
5-bromo-2-methyl-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
CID 66310089
ethyl 1-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62011709
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide
CID 71658493

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone (CID 134052222) is 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone is Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is GNQMGBCGZJHPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-9-12-7-10(15(17)18)14(9)8-11(16)13-5-3-2-4-6-13/h7H,2-6,8H2,1H3.
What are the key properties of 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone?
2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 252.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-nitroimidazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 134052222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).