N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide

C19H20N4O3 — CID 2824719

IUPACN-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H20N4O3/c24-19(15-7-3-1-4-8-15)21-20-14-16-13-17(23(25)26)9-10-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,24)
InChIKeyNSUGHVIQBHZTMG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.35
Rot. Bonds5

About N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide

N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide (PubChem CID 2824719) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
PubChem CID2824719
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C19H20N4O3/c24-19(15-7-3-1-4-8-15)21-20-14-16-13-17(23(25)26)9-10-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,24)
InChIKeyNSUGHVIQBHZTMG-UHFFFAOYSA-N
XLogP3.35
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]-2-phenylacetamide
CID 126013378
[(E)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]thiourea
CID 98005259
[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]thiourea
CID 3604814
N-[(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 3939730
2-(2-methoxyphenoxy)-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]acetamide
CID 126002244
2-chloro-N-[3-methyl-1-[2-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4223106
N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2966063
(5-nitro-2-piperidin-1-ylphenyl)methylidenehydrazine
CID 168531238
N-[[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 4520791
N'-benzoyl-5-nitro-2-pyrrolidin-1-ylbenzohydrazide
CID 9279009
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]benzamide
CID 124539855

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide (CID 2824719) is N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide?
The InChIKey is NSUGHVIQBHZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(15-7-3-1-4-8-15)21-20-14-16-13-17(23(25)26)9-10-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,24).
What are the key properties of N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide?
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide has a molecular weight of 352.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 2824719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).