2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide

C14H19IN2O — CID 119461515

IUPAC2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccc(I)c(C(=O)NCC2CCCNC2)c1
InChIInChI=1S/C14H19IN2O/c1-10-4-5-13(15)12(7-10)14(18)17-9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyLZOJRIBFWHRCQX-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.33
Rot. Bonds3

About 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide

2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119461515) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119461515
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccc(I)c(C(=O)NCC2CCCNC2)c1
InChIInChI=1S/C14H19IN2O/c1-10-4-5-13(15)12(7-10)14(18)17-9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyLZOJRIBFWHRCQX-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.33
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

3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
2-iodo-4-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464595
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
3-methyl-6-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119460537
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 119461515) is 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide is Cc1ccc(I)c(C(=O)NCC2CCCNC2)c1.
What is the InChIKey of 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is LZOJRIBFWHRCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-10-4-5-13(15)12(7-10)14(18)17-9-11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide?
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 358.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119461515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).