methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate

C22H24N6O5 — CID 118142221

IUPACmethyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2ncnn2)C1
InChIInChI=1S/C22H24N6O5/c1-14-8-9-15(33-20-19(22(30)32-3)18(31-2)10-11-23-20)12-27(14)21(29)16-6-4-5-7-17(16)28-25-13-24-26-28/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyMNSIINCVACWHTA-HUUCEWRRSA-N
MW452.47 g/mol
LogP1.92
Rot. Bonds6

About methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate

methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate (PubChem CID 118142221) has the molecular formula C22H24N6O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
PubChem CID118142221
Molecular FormulaC22H24N6O5
Molecular Weight452.47 g/mol
Exact Mass452.18
IUPAC Namemethyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2ncnn2)C1
InChIInChI=1S/C22H24N6O5/c1-14-8-9-15(33-20-19(22(30)32-3)18(31-2)10-11-23-20)12-27(14)21(29)16-6-4-5-7-17(16)28-25-13-24-26-28/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyMNSIINCVACWHTA-HUUCEWRRSA-N
XLogP1.92
TPSA121.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
methyl 2-[(3R,6R)-1-[5-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-4-methoxypyridine-3-carboxylate
CID 118142523
ethyl 4-ethoxy-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 122630451
[(2R,5R)-5-[[3-(hydroxymethyl)-4-methoxy-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055132
[5-[(3-fluoro-4-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[2-(1-methyltriazol-1-ium-2-yl)phenyl]methanone
CID 123562525
[(2R,5R)-2-methyl-5-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
CID 78324940
[(2R,5R)-5-(2-bromo-3-methoxyphenoxy)-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121267920
[(2R)-5-[[3-(hydroxymethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 144739519
4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carbonitrile
CID 123507857
CID 157424141
CID 157424141

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The IUPAC name of methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate (CID 118142221) is methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate is COC(=O)c1c(OC)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2ncnn2)C1.
What is the InChIKey of methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
The InChIKey is MNSIINCVACWHTA-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H24N6O5/c1-14-8-9-15(33-20-19(22(30)32-3)18(31-2)10-11-23-20)12-27(14)21(29)16-6-4-5-7-17(16)28-25-13-24-26-28/h4-7,10-11,13-15H,8-9,12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate?
methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate has a molecular weight of 452.47 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate is sourced from PubChem (CID 118142221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).