N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

C16H24IN3O — CID 115305243

IUPACN-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)Nc2ccc(I)cc2C)CC1
InChIInChI=1S/C16H24IN3O/c1-12-10-13(17)4-5-14(12)19-15(21)11-20-8-6-16(2,18-3)7-9-20/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyVJSCUHXTPHROIC-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.61
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide

N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (PubChem CID 115305243) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
PubChem CID115305243
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC NameN-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1(C)CCN(CC(=O)Nc2ccc(I)cc2C)CC1
InChIInChI=1S/C16H24IN3O/c1-12-10-13(17)4-5-14(12)19-15(21)11-20-8-6-16(2,18-3)7-9-20/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,21)
InChIKeyVJSCUHXTPHROIC-UHFFFAOYSA-N
XLogP2.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 8899909
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 60973242
2-(3-hydroxy-4-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 103898494
N-(4-iodo-2-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65447509
2-[1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617120
methyl 1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731432
N-(3,4-dichlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305044
2-(4-amino-3-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119924876
N-(3-chlorophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304932
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide (CID 115305243) is N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is CNC1(C)CCN(CC(=O)Nc2ccc(I)cc2C)CC1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is VJSCUHXTPHROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O/c1-12-10-13(17)4-5-14(12)19-15(21)11-20-8-6-16(2,18-3)7-9-20/h4-5,10,18H,6-9,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide?
N-(4-iodo-2-methylphenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 401.29 g/mol, XLogP of 2.61, 4 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-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115305243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).