(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

C11H16N4O2 — CID 103511117

IUPAC(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cncn2C)CCC1=NO
InChIInChI=1S/C11H16N4O2/c1-8-6-15(4-3-9(8)13-17)11(16)10-5-12-7-14(10)2/h5,7-8,17H,3-4,6H2,1-2H3
InChIKeyOGECHBPMSJSQDH-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.73
Rot. Bonds1

About (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone

(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 103511117) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID103511117
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cncn2C)CCC1=NO
InChIInChI=1S/C11H16N4O2/c1-8-6-15(4-3-9(8)13-17)11(16)10-5-12-7-14(10)2/h5,7-8,17H,3-4,6H2,1-2H3
InChIKeyOGECHBPMSJSQDH-UHFFFAOYSA-N
XLogP0.73
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
(2-chlorophenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500718
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114500890
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
(5-bromothiophen-3-yl)-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 107962412
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 114500887
[2-(hydroxymethyl)morpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 103511375

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone (CID 103511117) is (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is CC1CN(C(=O)c2cncn2C)CCC1=NO.
What is the InChIKey of (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is OGECHBPMSJSQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-6-15(4-3-9(8)13-17)11(16)10-5-12-7-14(10)2/h5,7-8,17H,3-4,6H2,1-2H3.
What are the key properties of (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone?
(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103511117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).