3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide

C20H22IN3O3 — CID 55553639

IUPAC3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)COc2ccc(I)cc2)c1
InChIInChI=1S/C20H22IN3O3/c21-15-5-7-16(8-6-15)27-13-19(25)23-17-12-14(20(22)26)4-9-18(17)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H,23,25)
InChIKeyZHMRFFQKHRKHNY-UHFFFAOYSA-N
MW479.32 g/mol
LogP3.40
Rot. Bonds6

About 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide

3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide (PubChem CID 55553639) has the molecular formula C20H22IN3O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
PubChem CID55553639
Molecular FormulaC20H22IN3O3
Molecular Weight479.32 g/mol
Exact Mass479.07
IUPAC Name3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)COc2ccc(I)cc2)c1
InChIInChI=1S/C20H22IN3O3/c21-15-5-7-16(8-6-15)27-13-19(25)23-17-12-14(20(22)26)4-9-18(17)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H,23,25)
InChIKeyZHMRFFQKHRKHNY-UHFFFAOYSA-N
XLogP3.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269421
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675926
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 55553416
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 51631214

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide (CID 55553639) is 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)COc2ccc(I)cc2)c1.
What is the InChIKey of 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
The InChIKey is ZHMRFFQKHRKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O3/c21-15-5-7-16(8-6-15)27-13-19(25)23-17-12-14(20(22)26)4-9-18(17)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H2,22,26)(H,23,25).
What are the key properties of 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide has a molecular weight of 479.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 55553639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).