N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide

C16H21IN2O2 — CID 112768344

IUPACN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
SMILESCCC1CCCCN1C(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C16H21IN2O2/c1-2-12-7-5-6-10-19(12)15(20)11-18-16(21)13-8-3-4-9-14(13)17/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,21)
InChIKeyMWQNRKGWJBUATF-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide (PubChem CID 112768344) has the molecular formula C16H21IN2O2 and a molecular weight of 400.26 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
PubChem CID112768344
Molecular FormulaC16H21IN2O2
Molecular Weight400.26 g/mol
Exact Mass400.06
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
SMILESCCC1CCCCN1C(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C16H21IN2O2/c1-2-12-7-5-6-10-19(12)15(20)11-18-16(21)13-8-3-4-9-14(13)17/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,21)
InChIKeyMWQNRKGWJBUATF-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide (CID 112768344) is N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide is CCC1CCCCN1C(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide?
The InChIKey is MWQNRKGWJBUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O2/c1-2-12-7-5-6-10-19(12)15(20)11-18-16(21)13-8-3-4-9-14(13)17/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide?
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide has a molecular weight of 400.26 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 112768344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).