N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

C13H15N3O3 — CID 5150269

IUPACN-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NN=Cc1ccccc1O
InChIInChI=1S/C13H15N3O3/c17-11-6-2-1-4-9(11)8-15-16-13(19)10-5-3-7-14-12(10)18/h1-2,4,6,8,10,17H,3,5,7H2,(H,14,18)(H,16,19)
InChIKeyGYZOFIVSHGALIY-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.37
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 5150269) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID5150269
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NN=Cc1ccccc1O
InChIInChI=1S/C13H15N3O3/c17-11-6-2-1-4-9(11)8-15-16-13(19)10-5-3-7-14-12(10)18/h1-2,4,6,8,10,17H,3,5,7H2,(H,14,18)(H,16,19)
InChIKeyGYZOFIVSHGALIY-UHFFFAOYSA-N
XLogP0.37
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
CID 92901523
(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 135830680
N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3806839
(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5403260
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
N-[(2-hydroxyphenyl)methylideneamino]-5-oxo-1,4-dihydropyrazole-4-carboxamide
CID 3489398
(1R,2S,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135932849
(1S,2R,4S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135850503
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 3388586
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (CID 5150269) is N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCCC1C(=O)NN=Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is GYZOFIVSHGALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-11-6-2-1-4-9(11)8-15-16-13(19)10-5-3-7-14-12(10)18/h1-2,4,6,8,10,17H,3,5,7H2,(H,14,18)(H,16,19).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 5150269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).