1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C18H25IN2O4 — CID 55974467

IUPAC1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C18H25IN2O4/c1-24-12-2-9-20-18(23)14-7-10-21(11-8-14)17(22)13-25-16-5-3-15(19)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,20,23)
InChIKeyLHIQDNCSCWAQOC-UHFFFAOYSA-N
MW460.31 g/mol
LogP2.06
Rot. Bonds8

About 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55974467) has the molecular formula C18H25IN2O4 and a molecular weight of 460.31 g/mol. Its IUPAC name is 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55974467
Molecular FormulaC18H25IN2O4
Molecular Weight460.31 g/mol
Exact Mass460.09
IUPAC Name1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C18H25IN2O4/c1-24-12-2-9-20-18(23)14-7-10-21(11-8-14)17(22)13-25-16-5-3-15(19)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,20,23)
InChIKeyLHIQDNCSCWAQOC-UHFFFAOYSA-N
XLogP2.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.31
LogP ≤ 52.06
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-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 60551898
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-(3-methoxypropyl)-1-[(3R)-3-phenylbutanoyl]piperidine-4-carboxamide
CID 95322166
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55974467) is 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)COc2ccc(I)cc2)CC1.
What is the InChIKey of 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is LHIQDNCSCWAQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25IN2O4/c1-24-12-2-9-20-18(23)14-7-10-21(11-8-14)17(22)13-25-16-5-3-15(19)4-6-16/h3-6,14H,2,7-13H2,1H3,(H,20,23).
What are the key properties of 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 460.31 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55974467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).