(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium

C15H18N3O2+ — CID 10707247

IUPAC(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
SMILESN#[N+]/C=C(/O)CC1CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C15H17N3O2/c16-17-10-14(19)9-13-7-4-8-18(15(13)20)11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/p+1/b14-10+
InChIKeyDRXHSPARYPZHBZ-GXDHUFHOSA-O
MW272.33 g/mol
LogP3.07
Rot. Bonds4

About (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium

(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium (PubChem CID 10707247) has the molecular formula C15H18N3O2+ and a molecular weight of 272.33 g/mol. Its IUPAC name is (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium.

Molecular Properties

Compound Name(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
PubChem CID10707247
Molecular FormulaC15H18N3O2+
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium
SMILESN#[N+]/C=C(/O)CC1CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C15H17N3O2/c16-17-10-14(19)9-13-7-4-8-18(15(13)20)11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/p+1/b14-10+
InChIKeyDRXHSPARYPZHBZ-GXDHUFHOSA-O
XLogP3.07
TPSA68.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(3R)-1-benzyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
CID 164638859
methoxycarbonyl 2-(1-benzyl-2-oxopiperidin-3-yl)acetate
CID 10756957
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
(E)-7-(1-benzyl-2-oxopiperidin-3-yl)hept-2-enoic acid
CID 122399337
1-benzyl-3-[(E)-7-chloro-6-methylhept-5-enyl]piperidin-2-one
CID 15127275
(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
CID 166440267
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-benzyl-3-(4-fluorophenyl)piperidin-2-one
CID 22733840
ethyl 1-benzyl-2-oxopiperidine-3-carboxylate;hydrochloride
CID 70449395
(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium?
The IUPAC name of (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium (CID 10707247) is (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium.
What is the SMILES notation for (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium?
The canonical SMILES for (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium is N#[N+]/C=C(/O)CC1CCCN(Cc2ccccc2)C1=O.
What is the InChIKey of (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium?
The InChIKey is DRXHSPARYPZHBZ-GXDHUFHOSA-O. The full InChI is InChI=1S/C15H17N3O2/c16-17-10-14(19)9-13-7-4-8-18(15(13)20)11-12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2/p+1/b14-10+.
What are the key properties of (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium?
(E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium has a molecular weight of 272.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyl-2-oxopiperidin-3-yl)-2-hydroxyprop-1-ene-1-diazonium is sourced from PubChem (CID 10707247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).