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

C13H15N3O3 — CID 5425127

IUPAC(3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@@H]1C(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C13H15N3O3/c17-10-4-1-3-9(7-10)8-15-16-13(19)11-5-2-6-14-12(11)18/h1,3-4,7-8,11,17H,2,5-6H2,(H,14,18)(H,16,19)/b15-8-/t11-/m0/s1
InChIKeyVZDZDICOJYALPG-LWHXSLQUSA-N
MW261.28 g/mol
LogP0.37
Rot. Bonds3

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

(3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 5425127) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID5425127
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@@H]1C(=O)N/N=C\c1cccc(O)c1
InChIInChI=1S/C13H15N3O3/c17-10-4-1-3-9(7-10)8-15-16-13(19)11-5-2-6-14-12(11)18/h1,3-4,7-8,11,17H,2,5-6H2,(H,14,18)(H,16,19)/b15-8-/t11-/m0/s1
InChIKeyVZDZDICOJYALPG-LWHXSLQUSA-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': '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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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (CID 5425127) is (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCC[C@@H]1C(=O)N/N=C\c1cccc(O)c1.
What is the InChIKey of (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is VZDZDICOJYALPG-LWHXSLQUSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-10-4-1-3-9(7-10)8-15-16-13(19)11-5-2-6-14-12(11)18/h1,3-4,7-8,11,17H,2,5-6H2,(H,14,18)(H,16,19)/b15-8-/t11-/m0/s1.
What are the key properties of (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
(3S)-N-[(Z)-(3-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 (3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 5425127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).