2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide

C16H24IN3O — CID 106632733

IUPAC2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(I)c1)CC1CCCCN1
InChIInChI=1S/C16H24IN3O/c1-2-20(11-15-7-3-4-9-18-15)12-16(21)19-14-8-5-6-13(17)10-14/h5-6,8,10,15,18H,2-4,7,9,11-12H2,1H3,(H,19,21)
InChIKeyUYWWHDCDWBVQGQ-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.69
Rot. Bonds6

About 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide

2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide (PubChem CID 106632733) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
PubChem CID106632733
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC Name2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(I)c1)CC1CCCCN1
InChIInChI=1S/C16H24IN3O/c1-2-20(11-15-7-3-4-9-18-15)12-16(21)19-14-8-5-6-13(17)10-14/h5-6,8,10,15,18H,2-4,7,9,11-12H2,1H3,(H,19,21)
InChIKeyUYWWHDCDWBVQGQ-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106615533
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106615538
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
N-(3-cyanothiophen-2-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]acetamide
CID 106632670
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537205

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide (CID 106632733) is 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide is CCN(CC(=O)Nc1cccc(I)c1)CC1CCCCN1.
What is the InChIKey of 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide?
The InChIKey is UYWWHDCDWBVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O/c1-2-20(11-15-7-3-4-9-18-15)12-16(21)19-14-8-5-6-13(17)10-14/h5-6,8,10,15,18H,2-4,7,9,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide?
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide has a molecular weight of 401.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-2-ylmethyl)amino]-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 106632733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).