2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide

C15H19IN2O2 — CID 108550284

IUPAC2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
SMILESCCC(=O)N1CCC(NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H19IN2O2/c1-2-14(19)18-9-7-11(8-10-18)17-15(20)12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,20)
InChIKeyKLHFHGDOQNEYQF-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.42
Rot. Bonds3

About 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide

2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide (PubChem CID 108550284) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
PubChem CID108550284
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC Name2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
SMILESCCC(=O)N1CCC(NC(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H19IN2O2/c1-2-14(19)18-9-7-11(8-10-18)17-15(20)12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,20)
InChIKeyKLHFHGDOQNEYQF-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.42
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

4-[(2-iodobenzoyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108559708
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
3-phenyl-N-(1-propanoylpiperidin-4-yl)benzamide
CID 110819130
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
[3-[4-[(2-iodobenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108927398
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999
N-(1-pentanoylpiperidin-4-yl)-2-(trifluoromethyl)benzamide
CID 108555185
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide?
The IUPAC name of 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide (CID 108550284) is 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide is CCC(=O)N1CCC(NC(=O)c2ccccc2I)CC1.
What is the InChIKey of 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide?
The InChIKey is KLHFHGDOQNEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2/c1-2-14(19)18-9-7-11(8-10-18)17-15(20)12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,20).
What are the key properties of 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide?
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide has a molecular weight of 386.23 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide is sourced from PubChem (CID 108550284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).