(4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone

C10H14N4O3 — CID 135418524

IUPAC(4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1
InChIInChI=1S/C10H14N4O3/c1-7-2-4-13(5-3-7)10(15)8-9(14(16)17)12-6-11-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyCORMEMYMWIPHDW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.19
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone

(4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone (PubChem CID 135418524) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone
PubChem CID135418524
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone
SMILESCC1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1
InChIInChI=1S/C10H14N4O3/c1-7-2-4-13(5-3-7)10(15)8-9(14(16)17)12-6-11-8/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyCORMEMYMWIPHDW-UHFFFAOYSA-N
XLogP1.19
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-methyl-1H-imidazole-4-carbonyl)piperidine-4-carboxamide
CID 110683912
(4-methylpiperidin-1-yl)-(3-nitrophenyl)methanone
CID 711512
(5-chloro-4-nitrothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84575602
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 55034216
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
(4-methyl-1,2-oxazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 110848992
(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119375799
(3-ethenyl-5-nitrophenyl)-(4-methylpiperidin-1-yl)methanone
CID 171662754
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 63624225
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
(4-methylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone
CID 27669894

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone (CID 135418524) is (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone is CC1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone?
The InChIKey is CORMEMYMWIPHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7-2-4-13(5-3-7)10(15)8-9(14(16)17)12-6-11-8/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone?
(4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone has a molecular weight of 238.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(5-nitro-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 135418524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).