methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate

C18H25IN2O5 — CID 90102185

IUPACmethyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1c(I)ccnc1OC1CCC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25IN2O5/c1-11-6-7-12(10-21(11)17(23)26-18(2,3)4)25-15-14(16(22)24-5)13(19)8-9-20-15/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyCOGMJUABLDRGME-UHFFFAOYSA-N
MW476.31 g/mol
LogP3.64
Rot. Bonds3

About methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate

methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate (PubChem CID 90102185) has the molecular formula C18H25IN2O5 and a molecular weight of 476.31 g/mol. Its IUPAC name is methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
PubChem CID90102185
Molecular FormulaC18H25IN2O5
Molecular Weight476.31 g/mol
Exact Mass476.08
IUPAC Namemethyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1c(I)ccnc1OC1CCC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H25IN2O5/c1-11-6-7-12(10-21(11)17(23)26-18(2,3)4)25-15-14(16(22)24-5)13(19)8-9-20-15/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyCOGMJUABLDRGME-UHFFFAOYSA-N
XLogP3.64
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
CID 123997862
tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate
CID 118192296
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
CID 157424141
CID 157424141
tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
CID 170602428
tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 163906007
methyl 4-cyano-2-[1-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxypyridine-3-carboxylate
CID 90110929
methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate
CID 164602078
ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
CID 144628092
tert-butyl (2S,5S)-2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 91188550
tert-butyl (2R,5R)-2-methyl-5-[[4-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 59277671

Frequently Asked Questions

What is the IUPAC name of methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate (CID 90102185) is methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate is COC(=O)c1c(I)ccnc1OC1CCC(C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The InChIKey is COGMJUABLDRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25IN2O5/c1-11-6-7-12(10-21(11)17(23)26-18(2,3)4)25-15-14(16(22)24-5)13(19)8-9-20-15/h8-9,11-12H,6-7,10H2,1-5H3.
What are the key properties of methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate?
methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate has a molecular weight of 476.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 90102185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).