2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid

C15H19IN2O3 — CID 61010407

IUPAC2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C15H19IN2O3/c16-11-4-3-5-12(8-11)17-14(19)10-18-7-2-1-6-13(18)9-15(20)21/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyCAOQOIUMGREETJ-UHFFFAOYSA-N
MW402.23 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid

2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid (PubChem CID 61010407) has the molecular formula C15H19IN2O3 and a molecular weight of 402.23 g/mol. Its IUPAC name is 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
PubChem CID61010407
Molecular FormulaC15H19IN2O3
Molecular Weight402.23 g/mol
Exact Mass402.04
IUPAC Name2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)Nc1cccc(I)c1
InChIInChI=1S/C15H19IN2O3/c16-11-4-3-5-12(8-11)17-14(19)10-18-7-2-1-6-13(18)9-15(20)21/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyCAOQOIUMGREETJ-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
CID 47104594
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 62467819
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734
2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66434673
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid (CID 61010407) is 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CC(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The InChIKey is CAOQOIUMGREETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O3/c16-11-4-3-5-12(8-11)17-14(19)10-18-7-2-1-6-13(18)9-15(20)21/h3-5,8,13H,1-2,6-7,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid has a molecular weight of 402.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).