1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide

C11H20N4O3 — CID 76924824

IUPAC1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(C)C(N)=NO)CC1
InChIInChI=1S/C11H20N4O3/c1-7(9(12)14-18)11(17)15-5-3-8(4-6-15)10(16)13-2/h7-8,18H,3-6H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyVEOPCCCNFYMFOF-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.65
Rot. Bonds3

About 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide

1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 76924824) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide
PubChem CID76924824
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)C(C)C(N)=NO)CC1
InChIInChI=1S/C11H20N4O3/c1-7(9(12)14-18)11(17)15-5-3-8(4-6-15)10(16)13-2/h7-8,18H,3-6H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyVEOPCCCNFYMFOF-UHFFFAOYSA-N
XLogP-0.65
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(azocan-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924604
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924633
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-2-carboxamide
CID 76925120
1-(2-bromo-3-methylbutanoyl)-N-methylpiperidine-4-carboxamide
CID 43578941
3-(4-cyclopentylpiperazin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76941688
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
1-[1-(N'-hydroxycarbamimidoyl)cyclopropanecarbonyl]-N-methylpiperidine-4-carboxamide
CID 80596930
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
1-(2,2-diphenylacetyl)-N-methylpiperidine-4-carboxamide
CID 110350749
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide (CID 76924824) is 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)C(C)C(N)=NO)CC1.
What is the InChIKey of 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is VEOPCCCNFYMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-7(9(12)14-18)11(17)15-5-3-8(4-6-15)10(16)13-2/h7-8,18H,3-6H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide?
1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 76924824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).