3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide

C16H23N3O2 — CID 76975484

IUPAC3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
SMILESCCC1CCN(C(=O)C(C(N)=NO)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-2-12-8-10-19(11-9-12)16(20)14(15(17)18-21)13-6-4-3-5-7-13/h3-7,12,14,21H,2,8-11H2,1H3,(H2,17,18)
InChIKeyRVSNOTLGIBORTH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.17
Rot. Bonds4

About 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide

3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide (PubChem CID 76975484) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
PubChem CID76975484
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
SMILESCCC1CCN(C(=O)C(C(N)=NO)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-2-12-8-10-19(11-9-12)16(20)14(15(17)18-21)13-6-4-3-5-7-13/h3-7,12,14,21H,2,8-11H2,1H3,(H2,17,18)
InChIKeyRVSNOTLGIBORTH-UHFFFAOYSA-N
XLogP2.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 79180897
2-chloro-1-(4-ethylpiperidin-1-yl)-2-phenylethanone
CID 54876088
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 115561045
N'-hydroxy-3-(2-methylpyrrolidin-1-yl)-3-oxo-2-phenylpropanimidamide
CID 76975453
3-(3,3-dimethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 77016553
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975476
3-amino-3-hydroxyimino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 76975438
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
3-amino-N-cyclopropyl-3-hydroxyimino-N-(2-methylpropyl)-2-phenylpropanamide
CID 76975528
2-benzyl-N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropanimidamide
CID 115966006

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide (CID 76975484) is 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide is CCC1CCN(C(=O)C(C(N)=NO)c2ccccc2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
The InChIKey is RVSNOTLGIBORTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-12-8-10-19(11-9-12)16(20)14(15(17)18-21)13-6-4-3-5-7-13/h3-7,12,14,21H,2,8-11H2,1H3,(H2,17,18).
What are the key properties of 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide?
3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide has a molecular weight of 289.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide is sourced from PubChem (CID 76975484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).