3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide

C14H19IN2O — CID 119464322

IUPAC3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCNC2)cc1I
InChIInChI=1S/C14H19IN2O/c1-10-4-5-12(7-13(10)15)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)
InChIKeyHIFDSVNOCFHQTB-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.33
Rot. Bonds3

About 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide

3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119464322) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119464322
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCNC2)cc1I
InChIInChI=1S/C14H19IN2O/c1-10-4-5-12(7-13(10)15)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)
InChIKeyHIFDSVNOCFHQTB-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-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461880
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)-1H-indole-5-carboxamide
CID 55230606
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
1-methyl-2-oxo-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 103793639
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 119464322) is 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCCNC2)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is HIFDSVNOCFHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-10-4-5-12(7-13(10)15)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 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide?
3-iodo-4-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 3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119464322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).