2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C13H18ClIN2O — CID 119387158

IUPAC2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCNCC2)c1I.Cl
InChIInChI=1S/C13H17IN2O.ClH/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10;/h2-4,10,15H,5-8H2,1H3,(H,16,17);1H
InChIKeyUTJUZPLKVZZPSY-UHFFFAOYSA-N
MW380.66 g/mol
LogP2.50
Rot. Bonds2

About 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride

2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119387158) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119387158
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCNCC2)c1I.Cl
InChIInChI=1S/C13H17IN2O.ClH/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10;/h2-4,10,15H,5-8H2,1H3,(H,16,17);1H
InChIKeyUTJUZPLKVZZPSY-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-methyl-3-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386306
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
N-[2-(hydroxymethyl)cyclopentyl]-2-iodo-3-methylbenzamide
CID 113254999

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119387158) is 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride is Cc1cccc(C(=O)NC2CCNCC2)c1I.Cl.
What is the InChIKey of 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is UTJUZPLKVZZPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O.ClH/c1-9-3-2-4-11(12(9)14)13(17)16-10-5-7-15-8-6-10;/h2-4,10,15H,5-8H2,1H3,(H,16,17);1H.
What are the key properties of 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 380.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119387158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).