3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide

C15H22N4O2 — CID 76975438

IUPAC3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
SMILESCN1CCC(NC(=O)C(C(N)=NO)c2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-19-9-7-12(8-10-19)17-15(20)13(14(16)18-21)11-5-3-2-4-6-11/h2-6,12-13,21H,7-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyZEKHCGLLFHOUNY-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.73
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide

3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide (PubChem CID 76975438) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
PubChem CID76975438
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
SMILESCN1CCC(NC(=O)C(C(N)=NO)c2ccccc2)CC1
InChIInChI=1S/C15H22N4O2/c1-19-9-7-12(8-10-19)17-15(20)13(14(16)18-21)11-5-3-2-4-6-11/h2-6,12-13,21H,7-10H2,1H3,(H2,16,18)(H,17,20)
InChIKeyZEKHCGLLFHOUNY-UHFFFAOYSA-N
XLogP0.73
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.73
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-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
N-(1-methylpiperidin-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 78810005
N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide
CID 76975453
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
3-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975484
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide (CID 76975438) is 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide is CN1CCC(NC(=O)C(C(N)=NO)c2ccccc2)CC1.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide?
The InChIKey is ZEKHCGLLFHOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19-9-7-12(8-10-19)17-15(20)13(14(16)18-21)11-5-3-2-4-6-11/h2-6,12-13,21H,7-10H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide?
3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide has a molecular weight of 290.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide is sourced from PubChem (CID 76975438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).