3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide

C15H21IN2O2 — CID 10452834

IUPAC3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCCC2)cc1I
InChIInChI=1S/C15H21IN2O2/c1-20-14-6-5-12(11-13(14)16)15(19)17-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyQUOQNNPCNAWKNE-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.52
Rot. Bonds5

About 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide

3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 10452834) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID10452834
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC Name3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCN2CCCCC2)cc1I
InChIInChI=1S/C15H21IN2O2/c1-20-14-6-5-12(11-13(14)16)15(19)17-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)
InChIKeyQUOQNNPCNAWKNE-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 54418629
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
3-iodo-4-methoxy-N-(piperidine-1-carbothioyl)benzamide
CID 4633502
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide (CID 10452834) is 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide is COc1ccc(C(=O)NCCN2CCCCC2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is QUOQNNPCNAWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-20-14-6-5-12(11-13(14)16)15(19)17-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19).
What are the key properties of 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide?
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 388.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 10452834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).