N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide

C16H24IN3O — CID 106635701

IUPACN-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(C)CC1CCCCN1
InChIInChI=1S/C16H24IN3O/c1-12-9-13(17)6-7-15(12)19-16(21)11-20(2)10-14-5-3-4-8-18-14/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyNILIPUXXFQJNPP-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.61
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide

N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide (PubChem CID 106635701) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
PubChem CID106635701
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(C)CC1CCCCN1
InChIInChI=1S/C16H24IN3O/c1-12-9-13(17)6-7-15(12)19-16(21)11-20(2)10-14-5-3-4-8-18-14/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)
InChIKeyNILIPUXXFQJNPP-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

N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
N-(4-bromo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635384
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
N-(3-iodophenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614250
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
2-[methyl(piperidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106635732
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
N-(2-methoxyphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106613869
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide (CID 106635701) is N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide is Cc1cc(I)ccc1NC(=O)CN(C)CC1CCCCN1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
The InChIKey is NILIPUXXFQJNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O/c1-12-9-13(17)6-7-15(12)19-16(21)11-20(2)10-14-5-3-4-8-18-14/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide?
N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]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 N-(4-iodo-2-methylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106635701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).