ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate

C18H28N4O4 — CID 58484453

IUPACethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ncnc(OC3CCNCC3)c2C)CC1
InChIInChI=1S/C18H28N4O4/c1-3-24-18(23)22-10-6-15(7-11-22)26-17-13(2)16(20-12-21-17)25-14-4-8-19-9-5-14/h12,14-15,19H,3-11H2,1-2H3
InChIKeyFASYLXJKFXOXMH-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.92
Rot. Bonds5

About ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate

ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate (PubChem CID 58484453) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
PubChem CID58484453
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Nameethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Oc2ncnc(OC3CCNCC3)c2C)CC1
InChIInChI=1S/C18H28N4O4/c1-3-24-18(23)22-10-6-15(7-11-22)26-17-13(2)16(20-12-21-17)25-14-4-8-19-9-5-14/h12,14-15,19H,3-11H2,1-2H3
InChIKeyFASYLXJKFXOXMH-UHFFFAOYSA-N
XLogP1.92
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate (CID 58484453) is ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate is CCOC(=O)N1CCC(Oc2ncnc(OC3CCNCC3)c2C)CC1.
What is the InChIKey of ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
The InChIKey is FASYLXJKFXOXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-3-24-18(23)22-10-6-15(7-11-22)26-17-13(2)16(20-12-21-17)25-14-4-8-19-9-5-14/h12,14-15,19H,3-11H2,1-2H3.
What are the key properties of ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate?
ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 58484453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).