[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C11H16N4O2 — CID 103118431

IUPAC[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCC1CN(C(=O)c2ccn(C)n2)CC/C1=N\O
InChIInChI=1S/C11H16N4O2/c1-8-7-15(6-4-9(8)13-17)11(16)10-3-5-14(2)12-10/h3,5,8,17H,4,6-7H2,1-2H3/b13-9+
InChIKeyJDOHOFKYTCTDBJ-UKTHLTGXSA-N
MW236.27 g/mol
LogP0.73
Rot. Bonds1

About [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 103118431) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID103118431
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCC1CN(C(=O)c2ccn(C)n2)CC/C1=N\O
InChIInChI=1S/C11H16N4O2/c1-8-7-15(6-4-9(8)13-17)11(16)10-3-5-14(2)12-10/h3,5,8,17H,4,6-7H2,1-2H3/b13-9+
InChIKeyJDOHOFKYTCTDBJ-UKTHLTGXSA-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

(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(4-hydroxyimino-3-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511117
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114500890
(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
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
(4-hydroxyimino-3-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 104930764
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 103118431) is [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is CC1CN(C(=O)c2ccn(C)n2)CC/C1=N\O.
What is the InChIKey of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is JDOHOFKYTCTDBJ-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-7-15(6-4-9(8)13-17)11(16)10-3-5-14(2)12-10/h3,5,8,17H,4,6-7H2,1-2H3/b13-9+.
What are the key properties of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-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 [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103118431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).