2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide

C16H24IN3O — CID 60807142

IUPAC2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(I)cc1C)C1CCNCC1
InChIInChI=1S/C16H24IN3O/c1-3-20(14-6-8-18-9-7-14)11-16(21)19-15-5-4-13(17)10-12(15)2/h4-5,10,14,18H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyNKTYYNSGITWGMB-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.61
Rot. Bonds5

About 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide

2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 60807142) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID60807142
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC Name2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(I)cc1C)C1CCNCC1
InChIInChI=1S/C16H24IN3O/c1-3-20(14-6-8-18-9-7-14)11-16(21)19-15-5-4-13(17)10-12(15)2/h4-5,10,14,18H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyNKTYYNSGITWGMB-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.61
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-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806799
2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833237
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 112801637
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807840
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635701
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide (CID 60807142) is 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide is CCN(CC(=O)Nc1ccc(I)cc1C)C1CCNCC1.
What is the InChIKey of 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is NKTYYNSGITWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O/c1-3-20(14-6-8-18-9-7-14)11-16(21)19-15-5-4-13(17)10-12(15)2/h4-5,10,14,18H,3,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 401.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 60807142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).