2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

C16H21IN2O2 — CID 51118177

IUPAC2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCCCC2)c1I
InChIInChI=1S/C16H21IN2O2/c1-12-6-5-7-13(15(12)17)16(21)18-9-8-14(20)19-10-3-2-4-11-19/h5-7H,2-4,8-11H2,1H3,(H,18,21)
InChIKeyUZMBVTGDWQFSOE-UHFFFAOYSA-N
MW400.26 g/mol
LogP2.73
Rot. Bonds4

About 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (PubChem CID 51118177) has the molecular formula C16H21IN2O2 and a molecular weight of 400.26 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
PubChem CID51118177
Molecular FormulaC16H21IN2O2
Molecular Weight400.26 g/mol
Exact Mass400.06
IUPAC Name2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
SMILESCc1cccc(C(=O)NCCC(=O)N2CCCCC2)c1I
InChIInChI=1S/C16H21IN2O2/c1-12-6-5-7-13(15(12)17)16(21)18-9-8-14(20)19-10-3-2-4-11-19/h5-7H,2-4,8-11H2,1H3,(H,18,21)
InChIKeyUZMBVTGDWQFSOE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
N-[2-(cycloheptylamino)ethyl]-2-iodo-3-methylbenzamide
CID 103807397
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107034729
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
2-bromo-3-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 103853094
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide (CID 51118177) is 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is Cc1cccc(C(=O)NCCC(=O)N2CCCCC2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
The InChIKey is UZMBVTGDWQFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN2O2/c1-12-6-5-7-13(15(12)17)16(21)18-9-8-14(20)19-10-3-2-4-11-19/h5-7H,2-4,8-11H2,1H3,(H,18,21).
What are the key properties of 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide?
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide has a molecular weight of 400.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 51118177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).