2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C14H20ClIN2O2 — CID 120600382

IUPAC2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC2CCNC(C)C2)c(I)c1.Cl
InChIInChI=1S/C14H19IN2O2.ClH/c1-9-7-10(5-6-16-9)17-14(18)12-4-3-11(19-2)8-13(12)15;/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18);1H
InChIKeyOUXOITYACZMVOR-UHFFFAOYSA-N
MW410.68 g/mol
LogP2.59
Rot. Bonds3

About 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120600382) has the molecular formula C14H20ClIN2O2 and a molecular weight of 410.68 g/mol. Its IUPAC name is 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120600382
Molecular FormulaC14H20ClIN2O2
Molecular Weight410.68 g/mol
Exact Mass410.03
IUPAC Name2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC2CCNC(C)C2)c(I)c1.Cl
InChIInChI=1S/C14H19IN2O2.ClH/c1-9-7-10(5-6-16-9)17-14(18)12-4-3-11(19-2)8-13(12)15;/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18);1H
InChIKeyOUXOITYACZMVOR-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995573
5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
CID 120601078
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120600382) is 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is COc1ccc(C(=O)NC2CCNC(C)C2)c(I)c1.Cl.
What is the InChIKey of 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is OUXOITYACZMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2.ClH/c1-9-7-10(5-6-16-9)17-14(18)12-4-3-11(19-2)8-13(12)15;/h3-4,8-10,16H,5-7H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 410.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120600382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).