2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide

C14H19IN2O — CID 120553920

IUPAC2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)Cc1cccc(I)c1
InChIInChI=1S/C14H19IN2O/c1-10-9-16-6-5-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyFACIHPDVXVOEMO-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide

2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120553920) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120553920
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC Name2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)Cc1cccc(I)c1
InChIInChI=1S/C14H19IN2O/c1-10-9-16-6-5-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyFACIHPDVXVOEMO-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
CID 120553171
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide (CID 120553920) is 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide is CC1CNCCC1NC(=O)Cc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is FACIHPDVXVOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c1-10-9-16-6-5-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide?
2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 358.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120553920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).