4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C13H18ClIN2O — CID 120557720

IUPAC4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(I)cc1.Cl
InChIInChI=1S/C13H17IN2O.ClH/c1-9-8-15-7-6-12(9)16-13(17)10-2-4-11(14)5-3-10;/h2-5,9,12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeyDEIJZEPOYZABSL-UHFFFAOYSA-N
MW380.66 g/mol
LogP2.44
Rot. Bonds2

About 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120557720) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120557720
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(I)cc1.Cl
InChIInChI=1S/C13H17IN2O.ClH/c1-9-8-15-7-6-12(9)16-13(17)10-2-4-11(14)5-3-10;/h2-5,9,12,15H,6-8H2,1H3,(H,16,17);1H
InChIKeyDEIJZEPOYZABSL-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride 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

4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120555713
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
4-iodo-N-(2-methylcyclopropyl)benzamide
CID 58185353
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120557720) is 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(I)cc1.Cl.
What is the InChIKey of 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is DEIJZEPOYZABSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O.ClH/c1-9-8-15-7-6-12(9)16-13(17)10-2-4-11(14)5-3-10;/h2-5,9,12,15H,6-8H2,1H3,(H,16,17);1H.
What are the key properties of 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 380.66 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120557720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).