N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide

C17H22IN3O3 — CID 55844259

IUPACN-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
SMILESCC(=O)NCC1CCN(C(=O)CNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C17H22IN3O3/c1-12(22)19-10-13-6-8-21(9-7-13)16(23)11-20-17(24)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,22)(H,20,24)
InChIKeyCIBIRSCBROUAPD-UHFFFAOYSA-N
MW443.29 g/mol
LogP1.40
Rot. Bonds5

About N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide

N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide (PubChem CID 55844259) has the molecular formula C17H22IN3O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
PubChem CID55844259
Molecular FormulaC17H22IN3O3
Molecular Weight443.29 g/mol
Exact Mass443.07
IUPAC NameN-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
SMILESCC(=O)NCC1CCN(C(=O)CNC(=O)c2ccccc2I)CC1
InChIInChI=1S/C17H22IN3O3/c1-12(22)19-10-13-6-8-21(9-7-13)16(23)11-20-17(24)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,22)(H,20,24)
InChIKeyCIBIRSCBROUAPD-UHFFFAOYSA-N
XLogP1.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 51.40
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

N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 47042290
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135
2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55841424
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
2-iodo-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108550284
N-[(1-acetylpiperidin-4-yl)methyl]-2-aminobenzamide;hydrochloride
CID 119945298
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
3-[4-(acetamidomethyl)piperidin-1-yl]-3-oxopropanoic acid
CID 102736982
2-iodo-N-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 34146315

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide (CID 55844259) is N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide is CC(=O)NCC1CCN(C(=O)CNC(=O)c2ccccc2I)CC1.
What is the InChIKey of N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is CIBIRSCBROUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22IN3O3/c1-12(22)19-10-13-6-8-21(9-7-13)16(23)11-20-17(24)14-4-2-3-5-15(14)18/h2-5,13H,6-11H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide?
N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 443.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 55844259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).