4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide

C20H22IN5O2 — CID 3035560

IUPAC4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide
SMILESCOc1cc(N=[N+]=[N-])c(I)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22IN5O2/c1-28-19-12-18(24-25-22)17(21)11-16(19)20(27)23-15-7-9-26(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,27)
InChIKeyUFNGQEVXMTYIHB-UHFFFAOYSA-N
MW491.33 g/mol
LogP4.64
Rot. Bonds6

About 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide

4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide (PubChem CID 3035560) has the molecular formula C20H22IN5O2 and a molecular weight of 491.33 g/mol. Its IUPAC name is 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide
PubChem CID3035560
Molecular FormulaC20H22IN5O2
Molecular Weight491.33 g/mol
Exact Mass491.08
IUPAC Name4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide
SMILESCOc1cc(N=[N+]=[N-])c(I)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22IN5O2/c1-28-19-12-18(24-25-22)17(21)11-16(19)20(27)23-15-7-9-26(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,27)
InChIKeyUFNGQEVXMTYIHB-UHFFFAOYSA-N
XLogP4.64
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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4-Amino-5-chloro-2-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide?
The IUPAC name of 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide (CID 3035560) is 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide.
What is the SMILES notation for 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide?
The canonical SMILES for 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide is COc1cc(N=[N+]=[N-])c(I)cc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide?
The InChIKey is UFNGQEVXMTYIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN5O2/c1-28-19-12-18(24-25-22)17(21)11-16(19)20(27)23-15-7-9-26(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,27).
What are the key properties of 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide?
4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide has a molecular weight of 491.33 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-(1-benzylpiperidin-4-yl)-5-iodo-2-methoxybenzamide is sourced from PubChem (CID 3035560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).