2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide

C15H21IN2O — CID 103806068

IUPAC2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
SMILESCc1cccc(C(=O)NC(C)C2CCCNC2)c1I
InChIInChI=1S/C15H21IN2O/c1-10-5-3-7-13(14(10)16)15(19)18-11(2)12-6-4-8-17-9-12/h3,5,7,11-12,17H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyFRIGWZWZEPVQCN-UHFFFAOYSA-N
MW372.25 g/mol
LogP2.72
Rot. Bonds3

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

2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide (PubChem CID 103806068) has the molecular formula C15H21IN2O and a molecular weight of 372.25 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
PubChem CID103806068
Molecular FormulaC15H21IN2O
Molecular Weight372.25 g/mol
Exact Mass372.07
IUPAC Name2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
SMILESCc1cccc(C(=O)NC(C)C2CCCNC2)c1I
InChIInChI=1S/C15H21IN2O/c1-10-5-3-7-13(14(10)16)15(19)18-11(2)12-6-4-8-17-9-12/h3,5,7,11-12,17H,4,6,8-9H2,1-2H3,(H,18,19)
InChIKeyFRIGWZWZEPVQCN-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119473992
5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
CID 103806067

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide (CID 103806068) is 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide is Cc1cccc(C(=O)NC(C)C2CCCNC2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide?
The InChIKey is FRIGWZWZEPVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O/c1-10-5-3-7-13(14(10)16)15(19)18-11(2)12-6-4-8-17-9-12/h3,5,7,11-12,17H,4,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide?
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide has a molecular weight of 372.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 103806068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).