N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide

C13H16ClIN2O — CID 114259816

IUPACN-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1cc(I)ccc1Cl
InChIInChI=1S/C13H16ClIN2O/c14-11-4-3-10(15)7-12(11)17-13(18)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8H2,(H,17,18)
InChIKeyKPUKRIYEBDNUIJ-UHFFFAOYSA-N
MW378.64 g/mol
LogP3.27
Rot. Bonds3

About N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide

N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide (PubChem CID 114259816) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
PubChem CID114259816
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC NameN-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1cc(I)ccc1Cl
InChIInChI=1S/C13H16ClIN2O/c14-11-4-3-10(15)7-12(11)17-13(18)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8H2,(H,17,18)
InChIKeyKPUKRIYEBDNUIJ-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-piperidin-3-ylacetamide
CID 62676310
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
CID 62676837
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
5-iodo-2-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 63111622
2-piperidin-3-yl-N-(1H-pyrrol-2-yl)acetamide
CID 115160560
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide (CID 114259816) is N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)Nc1cc(I)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide?
The InChIKey is KPUKRIYEBDNUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c14-11-4-3-10(15)7-12(11)17-13(18)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8H2,(H,17,18).
What are the key properties of N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide?
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide has a molecular weight of 378.64 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 114259816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).