3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide

C15H21IN2O — CID 54937836

IUPAC3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCCC1)NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H21IN2O/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(16)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyVQSJIDWIORQGMM-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.90
Rot. Bonds4

About 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide

3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 54937836) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID54937836
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCC(CN1CCCCC1)NC(=O)c1cccc(I)c1
InChIInChI=1S/C15H21IN2O/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(16)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyVQSJIDWIORQGMM-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.90
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

N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60508452
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-3-[2-(trifluoromethyl)phenyl]benzamide
CID 125172341
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide (CID 54937836) is 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide is CC(CN1CCCCC1)NC(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is VQSJIDWIORQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(16)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,17,19).
What are the key properties of 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide?
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide has a molecular weight of 372.25 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 54937836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).