2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide

C15H21IN2O — CID 47104594

IUPAC2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C15H21IN2O/c1-2-14-8-3-4-9-18(14)11-15(19)17-13-7-5-6-12(16)10-13/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyKYIHJQLEGLBGFE-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.49
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide

2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide (PubChem CID 47104594) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
PubChem CID47104594
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C15H21IN2O/c1-2-14-8-3-4-9-18(14)11-15(19)17-13-7-5-6-12(16)10-13/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyKYIHJQLEGLBGFE-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 62467819
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide (CID 47104594) is 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide is CCC1CCCCN1CC(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide?
The InChIKey is KYIHJQLEGLBGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-2-14-8-3-4-9-18(14)11-15(19)17-13-7-5-6-12(16)10-13/h5-7,10,14H,2-4,8-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide?
2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide has a molecular weight of 372.25 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 47104594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).