(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate

C22H22N4O6 — CID 11464779

IUPAC(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)N2CCC(OCc3nc(-c4ccncc4)no3)CC2)cc1
InChIInChI=1S/C22H22N4O6/c1-29-21(27)16-2-4-18(5-3-16)31-22(28)26-12-8-17(9-13-26)30-14-19-24-20(25-32-19)15-6-10-23-11-7-15/h2-7,10-11,17H,8-9,12-14H2,1H3
InChIKeyWFWDZSGFBBXMIU-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.10
Rot. Bonds6

About (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate

(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate (PubChem CID 11464779) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
PubChem CID11464779
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Name(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)N2CCC(OCc3nc(-c4ccncc4)no3)CC2)cc1
InChIInChI=1S/C22H22N4O6/c1-29-21(27)16-2-4-18(5-3-16)31-22(28)26-12-8-17(9-13-26)30-14-19-24-20(25-32-19)15-6-10-23-11-7-15/h2-7,10-11,17H,8-9,12-14H2,1H3
InChIKeyWFWDZSGFBBXMIU-UHFFFAOYSA-N
XLogP3.10
TPSA116.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11749160
5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87053188
(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate
CID 70372833
(4-methoxycarbonylphenyl) 4-(4-pyridin-4-ylbutyl)piperidine-1-carboxylate
CID 59865008
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022689
5-[[1-(furan-3-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 155900360
4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
CID 68785103
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
methyl 4-[5-(azocan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 42244095
methyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxy]benzoate
CID 9192156

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate (CID 11464779) is (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate is COC(=O)c1ccc(OC(=O)N2CCC(OCc3nc(-c4ccncc4)no3)CC2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is WFWDZSGFBBXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-29-21(27)16-2-4-18(5-3-16)31-22(28)26-12-8-17(9-13-26)30-14-19-24-20(25-32-19)15-6-10-23-11-7-15/h2-7,10-11,17H,8-9,12-14H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 438.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 11464779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).