(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

C13H14N4O5 — CID 135830680

IUPAC(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@H]1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H14N4O5/c18-11-4-3-9(17(21)22)6-8(11)7-15-16-13(20)10-2-1-5-14-12(10)19/h3-4,6-7,10,18H,1-2,5H2,(H,14,19)(H,16,20)/b15-7-/t10-/m1/s1
InChIKeyVPKPCIZZLTZMBZ-CBQSTYFFSA-N
MW306.28 g/mol
LogP0.28
Rot. Bonds4

About (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide

(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (PubChem CID 135830680) has the molecular formula C13H14N4O5 and a molecular weight of 306.28 g/mol. Its IUPAC name is (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
PubChem CID135830680
Molecular FormulaC13H14N4O5
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCC[C@H]1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C13H14N4O5/c18-11-4-3-9(17(21)22)6-8(11)7-15-16-13(20)10-2-1-5-14-12(10)19/h3-4,6-7,10,18H,1-2,5H2,(H,14,19)(H,16,20)/b15-7-/t10-/m1/s1
InChIKeyVPKPCIZZLTZMBZ-CBQSTYFFSA-N
XLogP0.28
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5403260
(3R)-N-[(E)-benzylideneamino]-2-oxopiperidine-3-carboxamide
CID 92901523
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135444892
(3S)-N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 1121382
2-N,5-N-bis[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4111159
2-cyano-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135715830
2,4-dihydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4686004
2-hydroxy-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 137026862
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide (CID 135830680) is (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is O=C1NCCC[C@H]1C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
The InChIKey is VPKPCIZZLTZMBZ-CBQSTYFFSA-N. The full InChI is InChI=1S/C13H14N4O5/c18-11-4-3-9(17(21)22)6-8(11)7-15-16-13(20)10-2-1-5-14-12(10)19/h3-4,6-7,10,18H,1-2,5H2,(H,14,19)(H,16,20)/b15-7-/t10-/m1/s1.
What are the key properties of (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide?
(3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 135830680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).