N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

C17H23IN2O4 — CID 108557706

IUPACN-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C17H23IN2O4/c1-23-10-11-24-12-16(21)19-13-6-8-20(9-7-13)17(22)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyUMTYGMHOGRQJAZ-UHFFFAOYSA-N
MW446.29 g/mol
LogP1.67
Rot. Bonds7

About N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide

N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 108557706) has the molecular formula C17H23IN2O4 and a molecular weight of 446.29 g/mol. Its IUPAC name is N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
PubChem CID108557706
Molecular FormulaC17H23IN2O4
Molecular Weight446.29 g/mol
Exact Mass446.07
IUPAC NameN-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C17H23IN2O4/c1-23-10-11-24-12-16(21)19-13-6-8-20(9-7-13)17(22)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3,(H,19,21)
InChIKeyUMTYGMHOGRQJAZ-UHFFFAOYSA-N
XLogP1.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
4-chloro-N-[1-(2-iodobenzoyl)piperidin-4-yl]butanamide
CID 108563967
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557729
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557795

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide (CID 108557706) is N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is UMTYGMHOGRQJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23IN2O4/c1-23-10-11-24-12-16(21)19-13-6-8-20(9-7-13)17(22)14-4-2-3-5-15(14)18/h2-5,13H,6-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide?
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 446.29 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 108557706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).