N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide

C17H21IN4O3 — CID 3129967

IUPACN-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(I)cc1)=NNC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H21IN4O3/c1-12(11-15(23)19-14-7-5-13(18)6-8-14)20-21-16(24)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,21,24)
InChIKeyGOWJLZFJWVQVQJ-UHFFFAOYSA-N
MW456.28 g/mol
LogP2.12
Rot. Bonds4

About N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide

N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide (PubChem CID 3129967) has the molecular formula C17H21IN4O3 and a molecular weight of 456.28 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide
PubChem CID3129967
Molecular FormulaC17H21IN4O3
Molecular Weight456.28 g/mol
Exact Mass456.07
IUPAC NameN-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide
SMILESCC(CC(=O)Nc1ccc(I)cc1)=NNC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C17H21IN4O3/c1-12(11-15(23)19-14-7-5-13(18)6-8-14)20-21-16(24)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,21,24)
InChIKeyGOWJLZFJWVQVQJ-UHFFFAOYSA-N
XLogP2.12
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide
CID 3758637
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
N-[4-(3-oxobutanoylamino)phenyl]piperidine-1-carboxamide
CID 110178664
N'-[[4-(cyclohexylamino)-4-oxobutan-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 3489844
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94832530
N-[4-[(2-methylsulfanylacetyl)amino]phenyl]azepane-1-carboxamide
CID 60608362
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
(3E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-morpholin-4-yl-2-oxoacetyl)hydrazinylidene]butanamide
CID 45034145

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide (CID 3129967) is N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide is CC(CC(=O)Nc1ccc(I)cc1)=NNC(=O)C(=O)N1CCCCC1.
What is the InChIKey of N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide?
The InChIKey is GOWJLZFJWVQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN4O3/c1-12(11-15(23)19-14-7-5-13(18)6-8-14)20-21-16(24)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide?
N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide has a molecular weight of 456.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-[(2-oxo-2-piperidin-1-ylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 3129967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).