2-iodo-N-(2-methylpiperidin-4-yl)benzamide

C13H17IN2O — CID 106995591

IUPAC2-iodo-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccccc2I)CCN1
InChIInChI=1S/C13H17IN2O/c1-9-8-10(6-7-15-9)16-13(17)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyBHYSLRCFUXDNQF-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.16
Rot. Bonds2

About 2-iodo-N-(2-methylpiperidin-4-yl)benzamide

2-iodo-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 106995591) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-iodo-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID106995591
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name2-iodo-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccccc2I)CCN1
InChIInChI=1S/C13H17IN2O/c1-9-8-10(6-7-15-9)16-13(17)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)
InChIKeyBHYSLRCFUXDNQF-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.16
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-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120600382
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120599845
2-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104578374
N-(2-methylpiperidin-4-yl)-2-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120600879
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-iodo-N-(2-methylpiperidin-4-yl)benzamide (CID 106995591) is 2-iodo-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2ccccc2I)CCN1.
What is the InChIKey of 2-iodo-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is BHYSLRCFUXDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c1-9-8-10(6-7-15-9)16-13(17)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-iodo-N-(2-methylpiperidin-4-yl)benzamide?
2-iodo-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 344.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 106995591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).