1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide

C9H16N4O3 — CID 43156075

IUPAC1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C9H16N4O3/c10-7(12-16)5-8(14)13-3-1-6(2-4-13)9(11)15/h6,16H,1-5H2,(H2,10,12)(H2,11,15)
InChIKeyORYQXCZLMOMWAH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.15
Rot. Bonds3

About 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide

1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide (PubChem CID 43156075) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide
PubChem CID43156075
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C/C(N)=N/O)CC1
InChIInChI=1S/C9H16N4O3/c10-7(12-16)5-8(14)13-3-1-6(2-4-13)9(11)15/h6,16H,1-5H2,(H2,10,12)(H2,11,15)
InChIKeyORYQXCZLMOMWAH-UHFFFAOYSA-N
XLogP-1.15
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.15
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

N'-hydroxy-2-methyl-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65532774
N'-hydroxy-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073189
N'-hydroxy-2-[3-(trifluoromethyl)piperidine-1-carbonyl]pentanimidamide
CID 77073190
N'-hydroxy-3-methyl-2-[3-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073191
N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073204
N'-hydroxy-2-[4-(trifluoromethyl)piperidine-1-carbonyl]pentanimidamide
CID 77073205
N'-hydroxy-3-methyl-2-[4-(trifluoromethyl)piperidine-1-carbonyl]butanimidamide
CID 77073206
N'-hydroxy-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 77073208
N'-hydroxy-2-methyl-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 77073209
N'-hydroxy-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboximidamide
CID 77099624
N'-hydroxy-1-(4,4,4-trifluorobutanoyl)piperidine-4-carboximidamide
CID 77099625
N'-hydroxy-1-(4,4,4-trifluorobutanoyl)piperidine-3-carboximidamide
CID 133660828

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide (CID 43156075) is 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C/C(N)=N/O)CC1.
What is the InChIKey of 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide?
The InChIKey is ORYQXCZLMOMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-7(12-16)5-8(14)13-3-1-6(2-4-13)9(11)15/h6,16H,1-5H2,(H2,10,12)(H2,11,15).
What are the key properties of 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide?
1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-amino-3-hydroxyiminopropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 43156075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).