2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

C15H20IN3O — CID 4924260

IUPAC2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H20IN3O/c1-11(2)19-9-7-12(8-10-19)17-18-15(20)13-5-3-4-6-14(13)16/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyQQSUFEUMUSOJTO-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.88
Rot. Bonds3

About 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (PubChem CID 4924260) has the molecular formula C15H20IN3O and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
PubChem CID4924260
Molecular FormulaC15H20IN3O
Molecular Weight385.25 g/mol
Exact Mass385.07
IUPAC Name2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H20IN3O/c1-11(2)19-9-7-12(8-10-19)17-18-15(20)13-5-3-4-6-14(13)16/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyQQSUFEUMUSOJTO-UHFFFAOYSA-N
XLogP2.88
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5193391
4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5199563
4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5165870
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924296
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
3-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]benzoic acid
CID 5227479
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[(1-ethylpiperidin-4-ylidene)amino]-1-benzothiophene-3-carboxamide
CID 4155439
N-phenyl-1-propan-2-ylpiperidin-4-imine
CID 23339073
N'-[(1-methylpiperidin-4-ylidene)amino]-N-[(1R)-1-phenylethyl]oxamide
CID 7105948

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (CID 4924260) is 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is CC(C)N1CCC(=NNC(=O)c2ccccc2I)CC1.
What is the InChIKey of 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is QQSUFEUMUSOJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O/c1-11(2)19-9-7-12(8-10-19)17-18-15(20)13-5-3-4-6-14(13)16/h3-6,11H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 385.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 4924260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).