methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

C16H20N4O3 — CID 155790698

IUPACmethyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C16H20N4O3/c1-22-16(21)20-8-5-12(6-9-20)11-23-13-2-3-14(17-10-13)15-4-7-18-19-15/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyRCFOWKNJWFEKCK-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.33
Rot. Bonds4

About methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate

methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 155790698) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID155790698
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namemethyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1
InChIInChI=1S/C16H20N4O3/c1-22-16(21)20-8-5-12(6-9-20)11-23-13-2-3-14(17-10-13)15-4-7-18-19-15/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyRCFOWKNJWFEKCK-UHFFFAOYSA-N
XLogP2.33
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 155790698) is methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is COC(=O)N1CCC(COc2ccc(-c3ccn[nH]3)nc2)CC1.
What is the InChIKey of methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is RCFOWKNJWFEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-22-16(21)20-8-5-12(6-9-20)11-23-13-2-3-14(17-10-13)15-4-7-18-19-15/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,18,19).
What are the key properties of methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate?
methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 155790698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).