tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate

C24H37N3O3 — CID 58747960

IUPACtert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C24H37N3O3/c1-24(2,3)30-23(28)22-8-7-19(17-25-22)27-15-11-21(12-16-27)29-20-9-13-26(14-10-20)18-5-4-6-18/h7-8,17-18,20-21H,4-6,9-16H2,1-3H3
InChIKeyJZCGFUPRXOWOIM-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.04
Rot. Bonds5

About tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate

tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate (PubChem CID 58747960) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
PubChem CID58747960
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Nametert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1
InChIInChI=1S/C24H37N3O3/c1-24(2,3)30-23(28)22-8-7-19(17-25-22)27-15-11-21(12-16-27)29-20-9-13-26(14-10-20)18-5-4-6-18/h7-8,17-18,20-21H,4-6,9-16H2,1-3H3
InChIKeyJZCGFUPRXOWOIM-UHFFFAOYSA-N
XLogP4.04
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate (CID 58747960) is tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1.
What is the InChIKey of tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is JZCGFUPRXOWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-24(2,3)30-23(28)22-8-7-19(17-25-22)27-15-11-21(12-16-27)29-20-9-13-26(14-10-20)18-5-4-6-18/h7-8,17-18,20-21H,4-6,9-16H2,1-3H3.
What are the key properties of tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate?
tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 415.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 58747960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).