iodo 2-(1-acetylpiperidin-4-yl)acetate

C9H14INO3 — CID 170699627

IUPACiodo 2-(1-acetylpiperidin-4-yl)acetate
SMILESCC(=O)N1CCC(CC(=O)OI)CC1
InChIInChI=1S/C9H14INO3/c1-7(12)11-4-2-8(3-5-11)6-9(13)14-10/h8H,2-6H2,1H3
InChIKeyRQTIHVQSFXFSQA-UHFFFAOYSA-N
MW311.12 g/mol
LogP1.53
Rot. Bonds2

About iodo 2-(1-acetylpiperidin-4-yl)acetate

iodo 2-(1-acetylpiperidin-4-yl)acetate (PubChem CID 170699627) has the molecular formula C9H14INO3 and a molecular weight of 311.12 g/mol. Its IUPAC name is iodo 2-(1-acetylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameiodo 2-(1-acetylpiperidin-4-yl)acetate
PubChem CID170699627
Molecular FormulaC9H14INO3
Molecular Weight311.12 g/mol
Exact Mass311.00
IUPAC Nameiodo 2-(1-acetylpiperidin-4-yl)acetate
SMILESCC(=O)N1CCC(CC(=O)OI)CC1
InChIInChI=1S/C9H14INO3/c1-7(12)11-4-2-8(3-5-11)6-9(13)14-10/h8H,2-6H2,1H3
InChIKeyRQTIHVQSFXFSQA-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iodo 2-(1-acetylpiperidin-4-yl)acetate 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

1-(1-acetylpiperidin-4-yl)propan-2-one
CID 20685211
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126
1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
methyl 2-[1-(2-chloroacetyl)piperidin-4-yl]acetate
CID 28748566
1-[4-(propan-2-yloxymethyl)piperidin-1-yl]ethanone
CID 147601847
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417

Frequently Asked Questions

What is the IUPAC name of iodo 2-(1-acetylpiperidin-4-yl)acetate?
The IUPAC name of iodo 2-(1-acetylpiperidin-4-yl)acetate (CID 170699627) is iodo 2-(1-acetylpiperidin-4-yl)acetate.
What is the SMILES notation for iodo 2-(1-acetylpiperidin-4-yl)acetate?
The canonical SMILES for iodo 2-(1-acetylpiperidin-4-yl)acetate is CC(=O)N1CCC(CC(=O)OI)CC1.
What is the InChIKey of iodo 2-(1-acetylpiperidin-4-yl)acetate?
The InChIKey is RQTIHVQSFXFSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14INO3/c1-7(12)11-4-2-8(3-5-11)6-9(13)14-10/h8H,2-6H2,1H3.
What are the key properties of iodo 2-(1-acetylpiperidin-4-yl)acetate?
iodo 2-(1-acetylpiperidin-4-yl)acetate has a molecular weight of 311.12 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-(1-acetylpiperidin-4-yl)acetate is sourced from PubChem (CID 170699627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).