N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide

C19H19IN2O2 — CID 108550283

IUPACN-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1I
InChIInChI=1S/C19H19IN2O2/c20-17-9-5-4-8-16(17)18(23)21-15-10-12-22(13-11-15)19(24)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,23)
InChIKeyLYKXZMJGEIOWBU-UHFFFAOYSA-N
MW434.28 g/mol
LogP3.33
Rot. Bonds3

About N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide

N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide (PubChem CID 108550283) has the molecular formula C19H19IN2O2 and a molecular weight of 434.28 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
PubChem CID108550283
Molecular FormulaC19H19IN2O2
Molecular Weight434.28 g/mol
Exact Mass434.05
IUPAC NameN-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1I
InChIInChI=1S/C19H19IN2O2/c20-17-9-5-4-8-16(17)18(23)21-15-10-12-22(13-11-15)19(24)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,23)
InChIKeyLYKXZMJGEIOWBU-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[3-[4-[(2-iodobenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927398
4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108559708
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide (CID 108550283) is N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide is O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1I.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide?
The InChIKey is LYKXZMJGEIOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O2/c20-17-9-5-4-8-16(17)18(23)21-15-10-12-22(13-11-15)19(24)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,23).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide?
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide has a molecular weight of 434.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide is sourced from PubChem (CID 108550283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).