2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide

C15H22IN3O4 — CID 89353925

IUPAC2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide
SMILESCOCCOc1cc(NI)c(C(N)=O)cc1OC1CCNCC1
InChIInChI=1S/C15H22IN3O4/c1-21-6-7-22-13-9-12(19-16)11(15(17)20)8-14(13)23-10-2-4-18-5-3-10/h8-10,18-19H,2-7H2,1H3,(H2,17,20)
InChIKeySDPYDCHMNCHVIV-UHFFFAOYSA-N
MW435.26 g/mol
LogP1.70
Rot. Bonds8

About 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide

2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide (PubChem CID 89353925) has the molecular formula C15H22IN3O4 and a molecular weight of 435.26 g/mol. Its IUPAC name is 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide.

Molecular Properties

Compound Name2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide
PubChem CID89353925
Molecular FormulaC15H22IN3O4
Molecular Weight435.26 g/mol
Exact Mass435.07
IUPAC Name2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide
SMILESCOCCOc1cc(NI)c(C(N)=O)cc1OC1CCNCC1
InChIInChI=1S/C15H22IN3O4/c1-21-6-7-22-13-9-12(19-16)11(15(17)20)8-14(13)23-10-2-4-18-5-3-10/h8-10,18-19H,2-7H2,1H3,(H2,17,20)
InChIKeySDPYDCHMNCHVIV-UHFFFAOYSA-N
XLogP1.70
TPSA94.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 3146109
CID 3146109
CID 135409305
CID 135409305
CID 459611
CID 459611
CID 2834221
CID 2834221
CID 135495016
CID 135495016
CID 135399673
CID 135399673
CID 15547
CID 15547
CID 652324
CID 652324
CID 11347513
CID 11347513
CID 10867236
CID 10867236
CID 769170
CID 769170
CID 879698
CID 879698

Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide?
The IUPAC name of 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide (CID 89353925) is 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide.
What is the SMILES notation for 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide?
The canonical SMILES for 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide is COCCOc1cc(NI)c(C(N)=O)cc1OC1CCNCC1.
What is the InChIKey of 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide?
The InChIKey is SDPYDCHMNCHVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O4/c1-21-6-7-22-13-9-12(19-16)11(15(17)20)8-14(13)23-10-2-4-18-5-3-10/h8-10,18-19H,2-7H2,1H3,(H2,17,20).
What are the key properties of 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide?
2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide has a molecular weight of 435.26 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-4-(2-methoxyethoxy)-5-piperidin-4-yloxybenzamide is sourced from PubChem (CID 89353925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).