N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide

C13H16N4O3 — CID 136908963

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1NCCNC1=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H16N4O3/c18-10-3-1-9(2-4-10)8-16-17-12(19)7-11-13(20)15-6-5-14-11/h1-4,8,11,14,18H,5-7H2,(H,15,20)(H,17,19)/b16-8-/t11-/m1/s1
InChIKeyWNNDUMFYNGRKFA-OUZNOSRWSA-N
MW276.30 g/mol
LogP-0.68
Rot. Bonds4

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide (PubChem CID 136908963) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide
PubChem CID136908963
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1NCCNC1=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H16N4O3/c18-10-3-1-9(2-4-10)8-16-17-12(19)7-11-13(20)15-6-5-14-11/h1-4,8,11,14,18H,5-7H2,(H,15,20)(H,17,19)/b16-8-/t11-/m1/s1
InChIKeyWNNDUMFYNGRKFA-OUZNOSRWSA-N
XLogP-0.68
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3806839
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 129438742
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
N-[(4-hydroxyphenyl)methylideneamino]pentanamide
CID 4590132
N'-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]octanediamide
CID 135883129
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]propanamide
CID 136780667

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide (CID 136908963) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide is O=C(C[C@H]1NCCNC1=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is WNNDUMFYNGRKFA-OUZNOSRWSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-10-3-1-9(2-4-10)8-16-17-12(19)7-11-13(20)15-6-5-14-11/h1-4,8,11,14,18H,5-7H2,(H,15,20)(H,17,19)/b16-8-/t11-/m1/s1.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 276.30 g/mol, XLogP of -0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(2R)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 136908963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).