(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide

C16H24N3O2+ — CID 7322149

IUPAC(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
SMILESO=C(NCCC[NH+]1CCCCC1)/C(=N/O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c20-16(15(18-21)14-8-3-1-4-9-14)17-10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,21H,2,5-7,10-13H2,(H,17,20)/p+1/b18-15+
InChIKeyDNXMAODAKMEZAW-OBGWFSINSA-O
MW290.39 g/mol
LogP0.44
Rot. Bonds6

About (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide

(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide (PubChem CID 7322149) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
PubChem CID7322149
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide
SMILESO=C(NCCC[NH+]1CCCCC1)/C(=N/O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c20-16(15(18-21)14-8-3-1-4-9-14)17-10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,21H,2,5-7,10-13H2,(H,17,20)/p+1/b18-15+
InChIKeyDNXMAODAKMEZAW-OBGWFSINSA-O
XLogP0.44
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-hydroxyimino-N-[3-[3-[(2-hydroxyimino-2-phenylacetyl)amino]propylamino]propyl]-2-phenylacetamide
CID 6801703
N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
CID 6808043
(2Z)-2-hydroxyimino-2-phenyl-N-(2-phenylethyl)acetamide
CID 6401233
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
CID 6803126
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
4-phenyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide
CID 7346826
N-[3-(azepan-1-ium-1-yl)propyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 5015970
2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 6822271
1-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea
CID 7513555
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
4-chloro-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzamide
CID 9048961
3-methyl-N-(2-piperidin-1-ium-1-ylethyl)benzamide chloride
CID 18532138

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide?
The IUPAC name of (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide (CID 7322149) is (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide is O=C(NCCC[NH+]1CCCCC1)/C(=N/O)c1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide?
The InChIKey is DNXMAODAKMEZAW-OBGWFSINSA-O. The full InChI is InChI=1S/C16H23N3O2/c20-16(15(18-21)14-8-3-1-4-9-14)17-10-7-13-19-11-5-2-6-12-19/h1,3-4,8-9,21H,2,5-7,10-13H2,(H,17,20)/p+1/b18-15+.
What are the key properties of (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide?
(2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)acetamide is sourced from PubChem (CID 7322149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).