2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide

C20H23IN2O2 — CID 47092399

IUPAC2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(CN1CCCCC1C(O)c1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C20H23IN2O2/c21-16-9-11-17(12-10-16)22-19(24)14-23-13-5-4-8-18(23)20(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20,25H,4-5,8,13-14H2,(H,22,24)
InChIKeyJXRRIUVJRZTADX-UHFFFAOYSA-N
MW450.32 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide

2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide (PubChem CID 47092399) has the molecular formula C20H23IN2O2 and a molecular weight of 450.32 g/mol. Its IUPAC name is 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide
PubChem CID47092399
Molecular FormulaC20H23IN2O2
Molecular Weight450.32 g/mol
Exact Mass450.08
IUPAC Name2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide
SMILESO=C(CN1CCCCC1C(O)c1ccccc1)Nc1ccc(I)cc1
InChIInChI=1S/C20H23IN2O2/c21-16-9-11-17(12-10-16)22-19(24)14-23-13-5-4-8-18(23)20(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20,25H,4-5,8,13-14H2,(H,22,24)
InChIKeyJXRRIUVJRZTADX-UHFFFAOYSA-N
XLogP3.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[hydroxy(phenyl)methyl]pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 146099258
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[(2R)-2-[(S)-cyano(phenyl)methyl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 95785842
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide (CID 47092399) is 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide is O=C(CN1CCCCC1C(O)c1ccccc1)Nc1ccc(I)cc1.
What is the InChIKey of 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide?
The InChIKey is JXRRIUVJRZTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O2/c21-16-9-11-17(12-10-16)22-19(24)14-23-13-5-4-8-18(23)20(25)15-6-2-1-3-7-15/h1-3,6-7,9-12,18,20,25H,4-5,8,13-14H2,(H,22,24).
What are the key properties of 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide?
2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide has a molecular weight of 450.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 47092399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).