N-(1-iodopiperidin-4-yl)-4-methylbenzamide

C13H17IN2O — CID 148698295

IUPACN-(1-iodopiperidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(I)CC2)cc1
InChIInChI=1S/C13H17IN2O/c1-10-2-4-11(5-3-10)13(17)15-12-6-8-16(14)9-7-12/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyNUWBODZECVJHLJ-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.54
Rot. Bonds2

About N-(1-iodopiperidin-4-yl)-4-methylbenzamide

N-(1-iodopiperidin-4-yl)-4-methylbenzamide (PubChem CID 148698295) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is N-(1-iodopiperidin-4-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-iodopiperidin-4-yl)-4-methylbenzamide
PubChem CID148698295
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC NameN-(1-iodopiperidin-4-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCN(I)CC2)cc1
InChIInChI=1S/C13H17IN2O/c1-10-2-4-11(5-3-10)13(17)15-12-6-8-16(14)9-7-12/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyNUWBODZECVJHLJ-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
CID 54204989
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549152
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241

Frequently Asked Questions

What is the IUPAC name of N-(1-iodopiperidin-4-yl)-4-methylbenzamide?
The IUPAC name of N-(1-iodopiperidin-4-yl)-4-methylbenzamide (CID 148698295) is N-(1-iodopiperidin-4-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1-iodopiperidin-4-yl)-4-methylbenzamide?
The canonical SMILES for N-(1-iodopiperidin-4-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCN(I)CC2)cc1.
What is the InChIKey of N-(1-iodopiperidin-4-yl)-4-methylbenzamide?
The InChIKey is NUWBODZECVJHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c1-10-2-4-11(5-3-10)13(17)15-12-6-8-16(14)9-7-12/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(1-iodopiperidin-4-yl)-4-methylbenzamide?
N-(1-iodopiperidin-4-yl)-4-methylbenzamide has a molecular weight of 344.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodopiperidin-4-yl)-4-methylbenzamide is sourced from PubChem (CID 148698295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).