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

C14H19IN2O — CID 113265456

IUPAC2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCNC2)c1I
InChIInChI=1S/C14H19IN2O/c1-10-4-2-6-12(13(10)15)14(18)17-9-11-5-3-7-16-8-11/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,17,18)
InChIKeyXZHRFYFAMAHNSD-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.33
Rot. Bonds3

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

2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 113265456) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID113265456
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCNC2)c1I
InChIInChI=1S/C14H19IN2O/c1-10-4-2-6-12(13(10)15)14(18)17-9-11-5-3-7-16-8-11/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,17,18)
InChIKeyXZHRFYFAMAHNSD-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

2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-[(2-methylphenyl)methoxy]-N-(piperidin-3-ylmethyl)benzamide
CID 119463848
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 113265456) is 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCC2CCCNC2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is XZHRFYFAMAHNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-10-4-2-6-12(13(10)15)14(18)17-9-11-5-3-7-16-8-11/h2,4,6,11,16H,3,5,7-9H2,1H3,(H,17,18).
What are the key properties of 2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide?
2-iodo-3-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-3-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 113265456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).