N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

C13H15N3O3 — CID 3806839

IUPACN-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NN=Cc1ccc(O)cc1
InChIInChI=1S/C13H15N3O3/c17-10-5-3-9(4-6-10)8-15-16-13(19)11-2-1-7-14-12(11)18/h3-6,8,11,17H,1-2,7H2,(H,14,18)(H,16,19)
InChIKeyFSSLKHARVGMDME-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.37
Rot. Bonds3

About N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 3806839) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID3806839
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NN=Cc1ccc(O)cc1
InChIInChI=1S/C13H15N3O3/c17-10-5-3-9(4-6-10)8-15-16-13(19)11-2-1-7-14-12(11)18/h3-6,8,11,17H,1-2,7H2,(H,14,18)(H,16,19)
InChIKeyFSSLKHARVGMDME-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_B(215)', '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'}

Analyze N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5403260
(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
CID 92901523
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 135830680
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 136908963
(2S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]oxolane-2-carboxamide
CID 136907729
N-cyclopentyl-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136863405
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
(3R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1,1-dioxothiolane-3-carboxamide
CID 135817764
N-[(E)-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 16766952
(1S,6S,7S)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 136664067

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (CID 3806839) is N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCCC1C(=O)NN=Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is FSSLKHARVGMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-10-5-3-9(4-6-10)8-15-16-13(19)11-2-1-7-14-12(11)18/h3-6,8,11,17H,1-2,7H2,(H,14,18)(H,16,19).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
N-[(4-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-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3806839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).